data_1ih0_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 1ih0 _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 ' 93' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 1.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.072 0.463 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 ' N ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' C ' ' HE1' ' A' ' 137' ' ' MET . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.508 ' N ' ' HE1' ' A' ' 137' ' ' MET . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 117' ' ' LEU . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 125' ' ' GLY . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.52 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 127' ' ' THR . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.53 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 126' ' ' GLU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.444 HD11 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.508 ' HE1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.449 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.522 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.016 0.436 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.466 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CD1' HG21 ' A' ' 112' ' ' ILE . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.566 HG21 ' CD1' ' A' ' 104' ' ' PHE . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.441 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.509 HD13 ' CG2' ' A' ' 133' ' ' ILE . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.412 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.509 ' CG2' HD13 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.442 ' HB2' HD22 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.537 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' ' CG ' ' A' ' 147' ' ' ARG . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 157' ' ' MET . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 150' ' ' TYR . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 153' ' ' PHE . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.455 ' O ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD1' HD12 ' A' ' 154' ' ' LEU . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.423 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 153' ' ' PHE . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.438 ' HG2' HG23 ' A' ' 133' ' ' ILE . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 124' ' ' THR . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.6 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.561 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 139' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.443 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' PHE . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.481 ' CD2' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.403 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.146 0.498 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.472 ' HA ' ' OE2' ' A' ' 116' ' ' GLU . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' HB1' ' OD1' ' A' ' 105' ' ' ASP . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.464 HG21 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.453 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD23 HD11 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HA ' HD13 ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.509 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.419 ' C ' ' HE3' ' A' ' 137' ' ' MET . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.434 HD12 ' C ' ' A' ' 147' ' ' ARG . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 150' ' ' TYR . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.561 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 158' ' ' LYS . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.438 HG13 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.438 ' OE1' HG13 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.101 0.477 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.526 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.584 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 115' ' ' GLU . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.457 ' O ' HG21 ' A' ' 124' ' ' THR . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.462 ' CE ' ' C ' ' A' ' 146' ' ' GLY . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.584 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.419 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.512 ' CA ' HD22 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.98 0.419 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.461 ' OD1' ' HB3' ' A' ' 109' ' ' ASP . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.495 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HE3' ' CG2' ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.524 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.508 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.508 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.501 ' CG2' ' HE3' ' A' ' 118' ' ' LYS . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.497 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 149' ' ' ASP . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.45 ' N ' HG22 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.476 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.563 ' HB2' ' CD1' ' A' ' 153' ' ' PHE . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.428 ' OXT' ' O ' ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.1 0.476 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HA ' HD13 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 8.8 mm100 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 121' ' ' LEU . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.419 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.455 ' HG3' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 13.7 t-20 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.446 ' CG ' ' O ' ' A' ' 150' ' ' TYR . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 153' ' ' PHE . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.101 0.477 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD2' ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.464 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 36.6 t30 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.488 ' HB3' ' CD1' ' A' ' 128' ' ' ILE . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.446 HG22 ' HG3' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 117' ' ' LEU . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 152' ' ' GLU . 6.5 m-20 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 14.9 t30 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.456 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.5 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.065 0.46 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 103' ' ' MET . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 113' ' ' ASP . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.492 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.53 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' CD1' ' A' ' 121' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.503 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.523 ' CD2' HD12 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.581 ' HE3' ' CE1' ' A' ' 153' ' ' PHE . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 161' ' ' GLU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.997 0.427 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.462 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 133' ' ' ILE . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' HB3' ' HB ' ' A' ' 128' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 124' ' ' THR . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.527 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 128' ' ' ILE . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.527 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 114' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.565 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.456 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.41 HD21 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 112' ' ' ILE . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 118' ' ' LYS . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.501 ' CG2' ' HG ' ' A' ' 114' ' ' LEU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.465 HD21 ' O ' ' A' ' 136' ' ' LEU . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.512 ' ND2' ' OD1' ' A' ' 149' ' ' ASP . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.456 ' O ' ' HE2' ' A' ' 137' ' ' MET . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 153' ' ' PHE . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.518 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.489 ' HE1' ' CZ ' ' A' ' 153' ' ' PHE . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.448 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.219 0.533 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HB2' ' CA ' ' A' ' 94' ' ' GLU . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.447 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HG2' HD11 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' LEU . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.41 ' HB2' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.47 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 77.9 m-20 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.47 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 150' ' ' TYR . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.163 0.506 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' LEU . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.411 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.422 HD11 ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.404 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.51 ' CD1' ' CD1' ' A' ' 133' ' ' ILE . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.53 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 7.1 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.514 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.445 ' O ' HD11 ' A' ' 148' ' ' ILE . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 148' ' ' ILE . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.528 ' O ' ' CD1' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 150' ' ' TYR . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.565 ' SD ' ' CE2' ' A' ' 153' ' ' PHE . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' MET . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 112' ' ' ILE . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 120' ' ' MET . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 126' ' ' GLU . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.464 ' O ' HD11 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.464 HD11 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 156' ' ' PHE . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.478 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.478 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.445 ' CE2' HD22 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.428 ' HB ' ' HE3' ' A' ' 157' ' ' MET . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 121.001 0.429 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.464 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' OD1' ' OE1' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.414 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' OE1' ' OD1' ' A' ' 105' ' ' ASP . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.455 ' HE2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 119' ' ' ILE . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' LEU . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.487 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 129' ' ' THR . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.509 ' N ' HG23 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.491 ' HE1' ' N ' ' A' ' 114' ' ' LEU . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.445 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.518 HD13 HG23 ' A' ' 148' ' ' ILE . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.568 ' CD2' HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 150' ' ' TYR . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.472 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.511 ' HB ' ' CE ' ' A' ' 157' ' ' MET . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.068 0.461 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.521 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' OD1' ' A' ' 109' ' ' ASP . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.411 ' OD1' ' HB2' ' A' ' 115' ' ' GLU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.53 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.411 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 116' ' ' GLU . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.467 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' A' ' 133' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.536 ' O ' ' CD1' ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 129' ' ' THR . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.42 ' HA ' ' OE1' ' A' ' 152' ' ' GLU . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.466 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.492 ' CZ ' ' CB ' ' A' ' 157' ' ' MET . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 160' ' ' VAL . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 121.119 0.485 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.432 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.52 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.513 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.512 ' N ' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' OE2' ' OD1' ' A' ' 113' ' ' ASP . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.483 ' HB3' ' OE2' ' A' ' 126' ' ' GLU . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.483 ' OE2' ' HB3' ' A' ' 121' ' ' LEU . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 126' ' ' GLU . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.517 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 129' ' ' THR . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 130' ' ' GLU . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 132' ' ' ASP . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.474 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 152' ' ' GLU . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' LEU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 158' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 157' ' ' MET . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.527 ' CD1' ' HE2' ' A' ' 157' ' ' MET . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 113' ' ' ASP . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 112' ' ' ILE . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.506 ' CD1' HG21 ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.456 ' HE2' HG23 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 122' ' ' GLN . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.477 ' CD1' HD21 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.413 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.506 HG21 ' CD1' ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.432 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.038 0.447 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.502 ' CD2' ' HE2' ' A' ' 157' ' ' MET . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.474 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.463 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.465 ' SD ' ' CG ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.541 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.541 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.435 ' CG2' ' HG2' ' A' ' 118' ' ' LYS . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.456 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.404 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 149' ' ' ASP . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.502 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 104' ' ' PHE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.523 ' CG ' HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 124' ' ' THR . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.457 HG23 ' HA ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 128' ' ' ILE . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 126' ' ' GLU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 130' ' ' GLU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 144' ' ' ASN . 21.0 t-20 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.466 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.522 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.468 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 119' ' ' ILE . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.505 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.504 HG23 ' CA ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 124' ' ' THR . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.513 HG13 ' CD1' ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.431 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 141' ' ' ASP . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.485 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.485 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.41 ' O ' HG11 ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.461 ' O ' HD23 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.102 0.477 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.686 ' CD1' ' CG ' ' A' ' 153' ' ' PHE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' ND2' ' OE1' ' A' ' 116' ' ' GLU . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.401 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.495 ' N ' ' HE3' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.456 ' OE1' ' ND2' ' A' ' 107' ' ' ASN . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 116' ' ' GLU . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.462 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 121' ' ' LEU . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.435 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.495 ' HE3' ' N ' ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.435 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 7.4 m-20 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.582 ' HE1' ' CZ ' ' A' ' 153' ' ' PHE . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.027 0.442 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 103' ' ' MET . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.514 HG21 ' N ' ' A' ' 113' ' ' ASP . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.524 HD22 ' CG2' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.484 ' HA ' ' HB2' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.557 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.493 ' CD1' HD12 ' A' ' 133' ' ' ILE . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.502 ' N ' HG23 ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.487 ' CG ' ' CG2' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.524 ' CG2' HD22 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' ASP . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 82.1 m-20 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.423 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.453 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.504 ' N ' HD13 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.047 0.451 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.439 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 160' ' ' VAL . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.529 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 117' ' ' LEU . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.489 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.451 ' O ' HG21 ' A' ' 124' ' ' THR . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.456 ' HB3' HD11 ' A' ' 128' ' ' ILE . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 120' ' ' MET . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 129' ' ' THR . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.511 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.497 ' CB ' HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.489 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 148' ' ' ILE . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.423 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.439 ' OH ' ' HA ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.577 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.463 ' HB ' HD23 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.151 0.501 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 18.3 t30 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 101' ' ' PHE . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 128' ' ' ILE . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 130' ' ' GLU . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.443 ' CE2' HD21 ' A' ' 154' ' ' LEU . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 157' ' ' MET . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.431 ' HE2' HG23 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 119' ' ' ILE . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.482 HD13 HG22 ' A' ' 128' ' ' ILE . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 148' ' ' ILE . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 148' ' ' ILE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.498 ' CE2' HD11 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.449 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD2' ' HE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.509 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' HG ' ' CE ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD1' HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.461 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.444 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.509 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 147' ' ' ARG . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.455 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.45 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLU . 28.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HG ' HD21 ' A' ' 154' ' ' LEU . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 101' ' ' PHE . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 113' ' ' ASP . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 112' ' ' ILE . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.432 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.549 ' CD2' HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' GLU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.502 HG21 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.531 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.515 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.531 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 117' ' ' LEU . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 141' ' ' ASP . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.488 HG22 HD13 ' A' ' 148' ' ' ILE . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.533 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 150' ' ' TYR . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.48 ' SD ' ' CG2' ' A' ' 160' ' ' VAL . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.093 0.473 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 98' ' ' SER . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.533 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.533 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 148' ' ' ILE . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 133' ' ' ILE . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.424 ' HG2' HD12 ' A' ' 133' ' ' ILE . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.504 HG23 HD13 ' A' ' 133' ' ' ILE . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.506 HG22 HD11 ' A' ' 148' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 150' ' ' TYR . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.52 ' HB2' ' CE1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.181 0.515 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 159' ' ' GLY . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.513 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 116' ' ' GLU . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HG ' ' CD ' ' A' ' 118' ' ' LYS . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.493 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 124' ' ' THR . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.494 ' CB ' HG22 ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 137' ' ' MET . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.503 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.428 ' HA2' ' HE2' ' A' ' 137' ' ' MET . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.415 HD12 HG22 ' A' ' 148' ' ' ILE . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 154' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 97' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.478 ' HE3' ' CG ' ' A' ' 96' ' ' GLU . 14.2 mtpp 66.46 -61.56 0.3 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 110.464 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m 77.28 -175.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.478 ' CG ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD21 ' N ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' C ' ' HE1' ' A' ' 137' ' ' MET . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.508 ' N ' ' HE1' ' A' ' 137' ' ' MET . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 117' ' ' LEU . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.519 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.52 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 127' ' ' THR . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.53 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 126' ' ' GLU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.444 HD11 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.508 ' HE1' ' N ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 153' ' ' PHE . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.449 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.522 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.431 HG11 H161 ' A' ' 1' ' ' EMD . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.519 ' O18' ' CD2' ' A' ' 121' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 159' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -132.27 -81.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.15 160.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.466 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CZ ' ' H72' ' A' ' 1' ' ' EMD . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.566 HG21 ' CD1' ' A' ' 104' ' ' PHE . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.441 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.509 HD13 ' CG2' ' A' ' 133' ' ' ILE . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.412 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.508 ' O ' ' CG2' ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.509 ' CG2' HD13 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.463 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.442 ' HB2' HD22 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.537 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.507 ' N ' ' CG ' ' A' ' 147' ' ' ARG . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 157' ' ' MET . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 150' ' ' TYR . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 153' ' ' PHE . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' GLY . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.455 ' O ' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.575 ' H72' ' CZ ' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER 71.2 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.492 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 -178.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' HB2' ' CA ' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD1' HD12 ' A' ' 154' ' ' LEU . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.423 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 153' ' ' PHE . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.438 ' HG2' HG23 ' A' ' 133' ' ' ILE . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.509 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.51 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.6 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.561 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 139' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.491 ' HA3' ' C2 ' ' A' ' 1' ' ' EMD . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.443 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.454 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 153' ' ' PHE . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.481 ' CD2' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.403 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.509 ' O18' ' CD2' ' A' ' 121' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 93' ' ' SER . 39.3 mmtm -103.75 -80.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.457 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.3 p 81.38 177.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.383 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.472 ' HA ' ' OE2' ' A' ' 116' ' ' GLU . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.464 HG21 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.453 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD23 HD11 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HA ' HD13 ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.509 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.464 HD23 ' N4 ' ' A' ' 1' ' ' EMD . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.446 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.419 ' C ' ' HE3' ' A' ' 137' ' ' MET . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.46 HD11 ' S1 ' ' A' ' 1' ' ' EMD . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 150' ' ' TYR . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.561 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 158' ' ' LYS . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.438 HG13 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.438 ' OE1' HG13 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.495 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -126.13 -171.4 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.417 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m -159.53 -173.82 4.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.526 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.584 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 115' ' ' GLU . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.457 ' O ' HG21 ' A' ' 124' ' ' THR . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.524 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.462 ' CE ' ' C ' ' A' ' 146' ' ' GLY . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.471 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.584 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.478 HG13 ' H71' ' A' ' 1' ' ' EMD . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.419 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' CB ' ' O2 ' ' A' ' 1' ' ' EMD . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.512 ' CA ' HD22 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.524 ' N4 ' ' CD2' ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 154.68 2.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -131.6 -172.42 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.191 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 100' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.461 ' OD1' ' HB3' ' A' ' 109' ' ' ASP . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' HB3' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.495 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HE3' ' CG2' ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.524 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.508 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.508 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.501 ' CG2' ' HE3' ' A' ' 118' ' ' LYS . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.497 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' O ' ' O2 ' ' A' ' 1' ' ' EMD . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 149' ' ' ASP . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.45 ' N ' HG22 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.563 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.476 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.624 ' CE2' ' N4 ' ' A' ' 1' ' ' EMD . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.563 ' HB2' ' CD1' ' A' ' 153' ' ' PHE . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.428 ' OXT' ' O ' ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.624 ' N4 ' ' CE2' ' A' ' 156' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.2 mptt -135.45 -54.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.144 0.497 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER 83.01 157.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE2' ' H73' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.458 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.528 HD12 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HA ' HD13 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 8.8 mm100 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 121' ' ' LEU . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.419 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.528 ' CG2' HD12 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.583 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.455 ' HG3' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.526 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 13.7 t-20 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.446 ' CG ' ' O ' ' A' ' 150' ' ' TYR . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.514 ' N ' ' O ' ' A' ' 153' ' ' PHE . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' HG3' ' HE2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.583 ' N4 ' ' CD2' ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -126.83 -168.2 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p -142.31 160.84 39.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD2' ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.421 ' HB3' HD12 ' A' ' 112' ' ' ILE . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.464 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 36.6 t30 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.546 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.446 ' HG3' HG22 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.42 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.522 HG23 ' C23' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.446 HG22 ' HG3' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 117' ' ' LEU . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.458 ' ND2' ' HG3' ' A' ' 152' ' ' GLU . 6.5 m-20 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 14.9 t30 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.546 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.456 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.458 ' HG3' ' ND2' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.5 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CG ' ' C2 ' ' A' ' 1' ' ' EMD . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.524 H172 ' CE ' ' A' ' 157' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' HG2' ' C ' ' A' ' 91' ' ' GLY . 11.1 mmmt 70.72 -65.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.055 0.455 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 69.11 175.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.43 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' CG ' ' A' ' 103' ' ' MET . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 107' ' ' ASN . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 113' ' ' ASP . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.451 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.532 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.492 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.53 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' CD1' ' A' ' 121' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 137' ' ' MET . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.439 HD13 ' S1 ' ' A' ' 1' ' ' EMD . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.523 ' CD2' HD12 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.581 ' HE3' ' CE1' ' A' ' 153' ' ' PHE . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.447 ' N ' HD23 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 161' ' ' GLU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.485 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 159' ' ' GLY . 1.0 OUTLIER -159.52 153.46 23.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.583 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.21 -159.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.117 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.462 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 133' ' ' ILE . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' HB3' ' HB ' ' A' ' 128' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.434 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.419 ' O ' HG21 ' A' ' 124' ' ' THR . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.527 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 128' ' ' ILE . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.527 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 114' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.462 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.565 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.41 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.456 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.517 H172 ' CE ' ' A' ' 157' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -69.67 127.92 34.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m -64.55 178.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.5 HD22 ' N ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.41 HD21 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 112' ' ' ILE . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.501 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 118' ' ' LYS . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.501 ' CG2' ' HG ' ' A' ' 114' ' ' LEU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.495 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.518 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.456 ' O ' ' HE2' ' A' ' 137' ' ' MET . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.464 HG23 ' S1 ' ' A' ' 1' ' ' EMD . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.543 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.518 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.489 ' HE1' ' CZ ' ' A' ' 153' ' ' PHE . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.5 ' N ' HD22 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.448 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.516 ' O2 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -172.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m -173.75 -175.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HB2' ' CA ' ' A' ' 94' ' ' GLU . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.447 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HG2' HD11 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.479 ' O ' ' C24' ' A' ' 1' ' ' EMD . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.41 ' HB2' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.47 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 77.9 m-20 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.473 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.47 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 150' ' ' TYR . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.563 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' HB2' H161 ' A' ' 1' ' ' EMD . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.508 ' C24' H151 ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt 48.59 -155.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.03 0.443 . . . . 0.0 110.374 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.41 -178.26 7.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' LEU . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' CD2' HD21 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.411 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.422 HD11 ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.522 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.53 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 7.1 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.514 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.514 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.527 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 148' ' ' ILE . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.528 ' O ' ' CD1' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' A' ' 150' ' ' TYR . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.565 ' SD ' ' CE2' ' A' ' 153' ' ' PHE . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.527 ' O2 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 91' ' ' GLY . 4.3 mttm 65.47 178.09 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m -107.31 140.78 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.283 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 103' ' ' MET . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 112' ' ' ILE . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 113' ' ' ASP . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.527 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.519 HG22 ' C24' ' A' ' 1' ' ' EMD . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 126' ' ' GLU . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.464 ' O ' HD11 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.464 HD11 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 156' ' ' PHE . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' OD1' ' CG ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.537 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.445 ' CE2' HD22 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.428 ' HB ' ' HE3' ' A' ' 157' ' ' MET . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.527 ' O18' ' CD2' ' A' ' 121' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 -176.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.105 0.479 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -137.77 176.65 8.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.157 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.464 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.414 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.455 ' HE2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 119' ' ' ILE . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.509 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 121' ' ' LEU . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.487 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 129' ' ' THR . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.509 ' N ' HG23 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.493 HG21 ' CD1' ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.532 HD12 ' C12' ' A' ' 1' ' ' EMD . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.491 ' HE1' ' N ' ' A' ' 114' ' ' LEU . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.415 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.445 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.528 HD11 ' C2 ' ' A' ' 1' ' ' EMD . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.568 ' CD2' HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.427 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 150' ' ' TYR . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.472 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.511 ' HB ' ' CE ' ' A' ' 157' ' ' MET . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.532 ' C12' HD12 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.753 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 159' ' ' GLY . 5.0 mtmm -111.82 81.24 1.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 0.0 110.438 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -78.66 -168.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.521 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.498 ' ND2' ' OD1' ' A' ' 109' ' ' ASP . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.411 ' OD1' ' HB2' ' A' ' 115' ' ' GLU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.53 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 116' ' ' GLU . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.467 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' A' ' 133' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.536 ' O ' ' CD1' ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 129' ' ' THR . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.469 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.53 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.412 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.431 HD11 ' S1 ' ' A' ' 1' ' ' EMD . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.466 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.492 ' CZ ' ' CB ' ' A' ' 157' ' ' MET . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 160' ' ' VAL . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.489 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.478 ' HB2' ' HA3' ' A' ' 159' ' ' GLY . 8.8 mttt -55.48 83.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -56.62 164.63 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.483 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.432 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 154' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.52 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.513 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.512 ' N ' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' OE2' ' OD1' ' A' ' 113' ' ' ASP . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.483 ' HB3' ' OE2' ' A' ' 126' ' ' GLU . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.483 ' OE2' ' HB3' ' A' ' 121' ' ' LEU . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 126' ' ' GLU . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.517 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 129' ' ' THR . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 130' ' ' GLU . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.528 HD11 ' C13' ' A' ' 1' ' ' EMD . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 144' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.518 HD12 ' C2 ' ' A' ' 1' ' ' EMD . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.426 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 157' ' ' MET . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' LEU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.478 ' HA3' ' HB2' ' A' ' 92' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 157' ' ' MET . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.528 ' C13' HD11 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -91.27 -81.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.138 0.494 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.08 -161.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.592 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.527 ' CD1' ' HE2' ' A' ' 157' ' ' MET . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 113' ' ' ASP . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 112' ' ' ILE . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.506 ' CD1' HG21 ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.433 HD11 ' H71' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.456 ' HE2' HG23 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 122' ' ' GLN . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.477 ' CD1' HD21 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.449 ' HA ' HD13 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.413 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.506 HG21 ' CD1' ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.463 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.467 HD11 ' C2 ' ' A' ' 1' ' ' EMD . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.432 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.479 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.62 -75.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 110.544 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 174.58 152.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.565 ' CZ ' ' H72' ' A' ' 1' ' ' EMD . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.474 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB2' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.463 ' O ' ' HB1' ' A' ' 123' ' ' ALA . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.465 ' SD ' ' CG ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 119' ' ' ILE . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.541 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.541 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.435 ' CG2' ' HG2' ' A' ' 118' ' ' LYS . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.542 ' CD2' HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.456 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.404 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.404 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 149' ' ' ASP . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.428 ' HB2' HG22 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.576 ' CD1' ' N3 ' ' A' ' 1' ' ' EMD . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.502 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.576 ' N3 ' ' CD1' ' A' ' 156' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 93' ' ' SER . 16.6 mtmm -106.65 -77.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 0.0 110.627 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p 176.55 144.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.516 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 104' ' ' PHE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.523 ' CG ' HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 124' ' ' THR . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.457 HG23 ' HA ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.476 ' O ' HG12 ' A' ' 128' ' ' ILE . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 126' ' ' GLU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 130' ' ' GLU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.508 HD23 ' N4 ' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 144' ' ' ASN . 21.0 t-20 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.47 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.566 ' SD ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.466 ' O ' ' CD1' ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.508 ' N4 ' HD23 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.758 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.29 -156.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.09 0.472 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -154.24 168.07 27.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.445 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.522 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.468 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' HD13 ' A' ' 119' ' ' ILE . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.505 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.513 ' CD1' HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.504 HG23 ' CA ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 124' ' ' THR . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.513 HG13 ' CD1' ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.431 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.457 HD11 ' S1 ' ' A' ' 1' ' ' EMD . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.572 ' CE1' HD21 ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.485 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.485 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.522 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.41 ' O ' HG11 ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.461 ' O ' HD23 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.492 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.55 -169.43 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.13 0.491 . . . . 0.0 110.501 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p -140.77 171.68 13.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.686 ' CD1' ' CG ' ' A' ' 153' ' ' PHE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CD1' HG12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' N ' HG22 ' A' ' 112' ' ' ILE . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.495 ' N ' ' HE3' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.45 ' O ' HG12 ' A' ' 119' ' ' ILE . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 116' ' ' GLU . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.462 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 ' HB3' ' A' ' 121' ' ' LEU . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.435 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.524 HD12 ' C12' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.495 ' HE3' ' N ' ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.435 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 7.4 m-20 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.438 HG22 ' S1 ' ' A' ' 1' ' ' EMD . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.582 ' HE1' ' CZ ' ' A' ' 153' ' ' PHE . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.524 ' C12' HD12 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -84.21 169.11 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.062 0.458 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.21 179.68 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.405 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 103' ' ' MET . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.514 HG21 ' N ' ' A' ' 113' ' ' ASP . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.524 HD22 ' CG2' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.484 ' HA ' ' HB2' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.557 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.493 ' CD1' HD12 ' A' ' 133' ' ' ILE . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.502 ' N ' HG23 ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.487 ' CG ' ' CG2' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.524 ' CG2' HD22 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.535 ' CD2' ' H13' ' A' ' 1' ' ' EMD . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.427 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 82.1 m-20 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.423 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.524 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.453 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.504 ' N ' HD13 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.535 ' H13' ' CD2' ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' HE3' ' HG3' ' A' ' 96' ' ' GLU . 11.5 mtpp 56.3 84.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 0.0 110.393 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -169.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HG3' ' HE3' ' A' ' 92' ' ' LYS . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.439 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 160' ' ' VAL . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.529 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 117' ' ' LEU . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 133' ' ' ILE . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.489 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.451 ' O ' HG21 ' A' ' 124' ' ' THR . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 120' ' ' MET . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 129' ' ' THR . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.511 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.497 ' CB ' HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.489 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.578 HD23 ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.461 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 148' ' ' ILE . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.423 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.439 ' OH ' ' HA ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.578 ' CZ ' HD23 ' A' ' 136' ' ' LEU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.577 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.463 ' HB ' HD23 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.501 ' O18' ' CD2' ' A' ' 121' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -99.57 -170.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.04 165.24 36.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.499 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 18.3 t30 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 101' ' ' PHE . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.452 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.435 ' O ' HG12 ' A' ' 128' ' ' ILE . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 130' ' ' GLU . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.466 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.451 HG23 ' S1 ' ' A' ' 1' ' ' EMD . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.443 ' CE2' HD21 ' A' ' 154' ' ' LEU . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.498 ' CE ' H172 ' A' ' 1' ' ' EMD . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.527 ' C13' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 163.72 14.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.27 168.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.498 HD11 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.455 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.431 ' HE2' HG23 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 119' ' ' ILE . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.521 ' CD1' HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.482 HD13 HG22 ' A' ' 128' ' ' ILE . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.474 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.456 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.542 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 148' ' ' ILE . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.462 HG21 HD12 ' A' ' 148' ' ' ILE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.498 ' CE2' HD11 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.496 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.449 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.542 ' N4 ' ' CD2' ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -129.91 151.11 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.012 0.434 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -170.44 -155.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.467 -179.861 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CD2' ' HE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.509 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' HG ' ' CE ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' CD2' ' H72' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD1' HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.561 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.444 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.509 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.453 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.517 ' CE2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.455 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.45 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.561 ' N4 ' ' CD2' ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 95' ' ' GLU . 0.7 OUTLIER 64.7 -154.38 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.984 0.421 . . . . 0.0 110.492 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLU . 28.2 m 63.72 -165.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HG ' HD21 ' A' ' 154' ' ' LEU . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 101' ' ' PHE . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 113' ' ' ASP . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 112' ' ' ILE . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.432 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.549 ' CD2' HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 126' ' ' GLU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.502 HG21 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.502 ' N ' HG21 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.531 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.515 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.531 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.556 HD23 ' C13' ' A' ' 1' ' ' EMD . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 141' ' ' ASP . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.453 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.488 HG22 HD13 ' A' ' 148' ' ' ILE . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.533 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 150' ' ' TYR . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CD2' ' N3 ' ' A' ' 1' ' ' EMD . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.508 ' CE ' H172 ' A' ' 1' ' ' EMD . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.556 ' C13' HD23 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt 53.64 -179.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p -158.52 169.25 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 98' ' ' SER . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.533 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.533 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 148' ' ' ILE . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 133' ' ' ILE . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.424 ' HG2' HD12 ' A' ' 133' ' ' ILE . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.504 HG23 HD13 ' A' ' 133' ' ' ILE . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.47 HD21 ' H13' ' A' ' 1' ' ' EMD . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.511 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.506 HG22 HD11 ' A' ' 148' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.411 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 150' ' ' TYR . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.52 ' HB2' ' CE1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.511 ' O2 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -112.29 -170.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.452 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.15 -174.03 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 159' ' ' GLY . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.452 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.513 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 116' ' ' GLU . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HG ' ' CD ' ' A' ' 118' ' ' LYS . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.493 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.473 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.487 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.494 ' CB ' HG22 ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 137' ' ' MET . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.503 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.428 ' HA2' ' HE2' ' A' ' 137' ' ' MET . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.446 HG22 ' S1 ' ' A' ' 1' ' ' EMD . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.503 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 154' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.509 ' N ' HD13 ' A' ' 97' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' EMD . . . . . 0.484 ' H12' ' O18' ' A' ' 1' ' ' EMD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 1.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.072 0.463 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 160' ' ' VAL . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 125' ' ' GLY . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 121' ' ' LEU . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.536 ' CA ' ' HA ' ' A' ' 122' ' ' GLN . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 121' ' ' LEU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.509 HD11 ' SD ' ' A' ' 137' ' ' MET . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 154' ' ' LEU . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.459 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 150' ' ' TYR . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.477 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.735 ' O ' HD11 ' A' ' 100' ' ' LEU . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.016 0.436 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.472 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 157' ' ' MET . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.464 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' HG3' ' A' ' 137' ' ' MET . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HD2' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.592 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 129' ' ' THR . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.517 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.635 HG22 HD11 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.709 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.548 HG21 ' HD1' ' A' ' 153' ' ' PHE . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.548 ' HD1' HG21 ' A' ' 148' ' ' ILE . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.442 ' HZ ' HD21 ' A' ' 136' ' ' LEU . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.666 ' O ' HD21 ' A' ' 97' ' ' LEU . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.873 HD21 ' O ' ' A' ' 157' ' ' MET . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 97' ' ' LEU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD11 ' H ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.473 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' ' 105' ' ' ASP . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 114' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' HG23 ' A' ' 112' ' ' ILE . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 124' ' ' THR . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 10.3 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 127' ' ' THR . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.699 ' O ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 132' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.465 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.521 ' O ' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.873 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.602 ' H ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.146 0.498 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.748 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' OE2' ' HA ' ' A' ' 105' ' ' ASP . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.858 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 121' ' ' LEU . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 147' ' ' ARG . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.711 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 97' ' ' LEU . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.748 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.402 ' H ' HD21 ' A' ' 97' ' ' LEU . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.71 HG12 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.71 ' OE1' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.101 0.477 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.842 HD22 ' CE ' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 106' ' ' LYS . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 133' ' ' ILE . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.814 ' O ' HG22 ' A' ' 124' ' ' THR . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.814 HG22 ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.898 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.898 HD12 ' C ' ' A' ' 127' ' ' THR . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.541 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.842 ' CE ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.532 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.98 0.419 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.064 HD13 HD23 ' A' ' 154' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.541 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.453 ' CB ' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE1' HG23 ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.949 ' CD2' HD22 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.571 ' HE3' HG21 ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.717 ' O ' HG23 ' A' ' 124' ' ' THR . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.749 HD12 HD13 ' A' ' 133' ' ' ILE . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 120' ' ' MET . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.749 HD13 HD12 ' A' ' 121' ' ' LEU . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.514 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' HB2' ' OE2' ' A' ' 152' ' ' GLU . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CD ' ' HB3' ' A' ' 111' ' ' TYR . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.423 ' C ' ' OD1' ' A' ' 149' ' ' ASP . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.665 ' O ' HD21 ' A' ' 97' ' ' LEU . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.772 ' O ' HG12 ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.679 ' N ' HD11 ' A' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.1 0.476 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.924 HD13 HD23 ' A' ' 154' ' ' LEU . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' HE2' ' A' ' 157' ' ' MET . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.673 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 43.1 mm-40 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.569 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.439 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.724 ' CG2' HD11 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 152' ' ' GLU . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 143' ' ' ASN . 0.5 OUTLIER 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 HD13 ' A' ' 97' ' ' LEU . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.896 ' O ' HD21 ' A' ' 97' ' ' LEU . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.101 0.477 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.416 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.004 HD22 ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.487 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 15.2 t-20 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 117' ' ' LEU . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.677 HD12 HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.731 ' CG ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 128' ' ' ILE . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.524 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.748 HD13 ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.758 ' C ' HD13 ' A' ' 136' ' ' LEU . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.433 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 2.4 m120 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 19.8 t-20 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.49 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.506 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . 1.004 ' SD ' HD22 ' A' ' 100' ' ' LEU . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.065 0.46 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 112' ' ' ILE . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.478 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 1.001 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 1.001 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 127' ' ' THR . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.583 HG22 ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 129' ' ' THR . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 114' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.503 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.475 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 160' ' ' VAL . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.58 ' O ' HD11 ' A' ' 100' ' ' LEU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.562 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.997 0.427 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 137' ' ' MET . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 133' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 121' ' ' LEU . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.545 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 131' ' ' ASP . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.54 ' H ' HG23 ' A' ' 129' ' ' THR . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.545 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.814 HD11 HD12 ' A' ' 121' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.871 ' O ' HD21 ' A' ' 97' ' ' LEU . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CA ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.441 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.45 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 128' ' ' ILE . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 121' ' ' LEU . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 136' ' ' LEU . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.446 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.512 ' ND2' ' OD1' ' A' ' 149' ' ' ASP . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.527 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.55 ' SD ' HG23 ' A' ' 160' ' ' VAL . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.456 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.55 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.219 0.533 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.54 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.421 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 133' ' ' ILE . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.601 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 154' ' ' LEU . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.163 0.506 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' LEU . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.982 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.593 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 124' ' ' THR . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 128' ' ' ILE . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 34.9 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.53 HG23 ' OD2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 148' ' ' ILE . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 140' ' ' GLY . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.552 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 97' ' ' LEU . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.847 ' SD ' HD13 ' A' ' 100' ' ' LEU . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.982 ' O ' HD11 ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.85 HD13 HD23 ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' NZ ' HG21 ' A' ' 119' ' ' ILE . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.685 HG22 HD12 ' A' ' 117' ' ' LEU . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.542 HD11 ' SD ' ' A' ' 137' ' ' MET . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.44 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 128' ' ' ILE . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 120' ' ' MET . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 127' ' ' THR . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 121' ' ' LEU . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 136' ' ' LEU . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.542 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.478 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.478 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.85 HD23 HD13 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.82 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.874 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 121.001 0.429 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.47 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' OD1' ' OE1' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 128' ' ' ILE . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 121' ' ' LEU . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.548 ' OD1' HD12 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.759 ' CG2' HD11 ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 156' ' ' PHE . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.461 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.449 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.504 ' CD2' ' CD2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.449 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 97' ' ' LEU . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.842 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.068 0.461 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 ' SD ' ' A' ' 157' ' ' MET . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.52 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.543 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.632 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.547 HD13 HG12 ' A' ' 128' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 120' ' ' MET . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.632 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 136' ' ' LEU . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.554 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 153' ' ' PHE . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.468 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.714 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 148' ' ' ILE . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.731 ' SD ' HD22 ' A' ' 100' ' ' LEU . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.404 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 121.119 0.485 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.779 ' HG2' HD22 ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.97 HD13 ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.791 HD13 ' CE1' ' A' ' 153' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 112' ' ' ILE . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.596 ' CD2' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.99 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 124' ' ' THR . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 128' ' ' ILE . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 127' ' ' THR . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.796 HD13 ' OD2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.687 ' H ' HG22 ' A' ' 128' ' ' ILE . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 117' ' ' LEU . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 144' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 14.7 p-10 -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.433 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.709 HG21 ' HD1' ' A' ' 153' ' ' PHE . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 149' ' ' ASP . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 112' ' ' ILE . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 94' ' ' GLU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.97 ' SD ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 158' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 103' ' ' MET . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.813 HD11 ' CG2' ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 119' ' ' ILE . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 115' ' ' GLU . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.9 HD22 HD13 ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 119' ' ' ILE . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.9 HD13 HD22 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.813 ' CG2' HD11 ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 114' ' ' LEU . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 97' ' ' LEU . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.533 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.038 0.447 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.465 ' CG ' ' SD ' ' A' ' 120' ' ' MET . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.571 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.551 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.563 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 133' ' ' ILE . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.563 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' GLU . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.416 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.488 ' HB2' HG23 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.661 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.511 HD23 HD13 ' A' ' 97' ' ' LEU . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.661 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' A' ' 97' ' ' LEU . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.485 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 112' ' ' ILE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.693 ' HE2' HD13 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 128' ' ' ILE . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.729 HG21 HD13 ' A' ' 121' ' ' LEU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 114' ' ' LEU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.606 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 0.6 OUTLIER 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.815 ' HB2' HG22 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.528 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HE2' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 114' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.481 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.827 HD12 HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.785 HG22 ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.785 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.559 ' H ' HG23 ' A' ' 129' ' ' THR . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.827 HG13 HD12 ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 147' ' ' ARG . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.54 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.54 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.527 ' SD ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.534 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.705 ' O ' HD21 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.102 0.477 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.733 ' CE1' HD12 ' A' ' 112' ' ' ILE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.708 ' CE1' HG21 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' ND2' ' OE1' ' A' ' 116' ' ' GLU . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.733 HD12 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.559 ' O ' HD12 ' A' ' 117' ' ' LEU . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.738 HD13 ' SD ' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.586 HD13 ' N ' ' A' ' 119' ' ' ILE . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 127' ' ' THR . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 132' ' ' ASP . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 128' ' ' ILE . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.485 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.738 ' SD ' HD13 ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.474 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.474 ' HG2' ' HB3' ' A' ' 142' ' ' LYS . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 154' ' ' LEU . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.666 ' HE3' HD22 ' A' ' 100' ' ' LEU . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.471 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.027 0.442 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' O ' ' A' ' 157' ' ' MET . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.528 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 119' ' ' ILE . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.855 HD21 HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.919 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.563 ' C ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 117' ' ' LEU . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.551 ' C ' HG22 ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.675 ' O ' HD21 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.855 HD22 HD21 ' A' ' 117' ' ' LEU . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 16.5 m120 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.441 ' OD2' ' HG3' ' A' ' 147' ' ' ARG . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.441 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.811 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.459 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.811 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.551 ' N ' HD11 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.047 0.451 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.562 ' HG3' HD22 ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 159' ' ' GLY . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.446 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' SD ' ' A' ' 103' ' ' MET . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.635 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 128' ' ' ILE . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 121' ' ' LEU . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.687 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.518 ' HB2' ' CG1' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 137' ' ' MET . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.415 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.446 ' HB ' HD21 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.151 0.501 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD22 ' HG2' ' A' ' 157' ' ' MET . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.3 t-20 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 137' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 114' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 116' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 127' ' ' THR . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 133' ' ' ILE . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.685 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASP . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.567 ' HG2' HD22 ' A' ' 100' ' ' LEU . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.033 HD13 ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.599 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.855 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.517 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.82 ' O ' HG23 ' A' ' 124' ' ' THR . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 120' ' ' MET . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 127' ' ' THR . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.516 HG21 ' HD2' ' A' ' 153' ' ' PHE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.855 ' CE2' HD13 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.033 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.789 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.486 ' C ' HD11 ' A' ' 97' ' ' LEU . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.599 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.652 HD21 ' CA ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 104' ' ' PHE . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.789 HD12 HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.789 HG12 HD12 ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 136' ' ' LEU . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.448 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.511 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 147' ' ' ARG . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.409 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.652 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.419 ' H ' HD11 ' A' ' 100' ' ' LEU . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 97' ' ' LEU . 28.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 157' ' ' MET . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 153' ' ' PHE . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.101 HD22 HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.988 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.68 HD11 HD22 ' A' ' 136' ' ' LEU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 129' ' ' THR . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.849 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.542 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 130' ' ' GLU . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.101 HD23 HD22 ' A' ' 117' ' ' LEU . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.938 ' HG2' HD11 ' A' ' 148' ' ' ILE . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.938 HD11 ' HG2' ' A' ' 137' ' ' MET . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.577 HD23 ' HG ' ' A' ' 97' ' ' LEU . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.999 ' O ' HD11 ' A' ' 97' ' ' LEU . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.793 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.093 0.473 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 157' ' ' MET . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 100' ' ' LEU . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 116' ' ' GLU . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 118' ' ' LYS . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HB2' HG23 ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' ' 114' ' ' LEU . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 119' ' ' ILE . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 130' ' ' GLU . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 137' ' ' MET . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 136' ' ' LEU . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.181 0.515 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.769 HD11 HG22 ' A' ' 133' ' ' ILE . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 133' ' ' ILE . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 124' ' ' THR . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.609 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.499 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 114' ' ' LEU . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.481 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 ' HD1' ' A' ' 153' ' ' PHE . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.671 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.429 ' HD1' HG21 ' A' ' 148' ' ' ILE . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 97' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.485 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.703 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.582 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 159' ' ' GLY . . . . . 0.471 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HE3' ' CG ' ' A' ' 96' ' ' GLU . 14.2 mtpp 66.46 -61.56 0.3 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 110.464 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m 77.28 -175.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 160' ' ' VAL . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.519 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.528 HG21 ' C24' ' A' ' 1' ' ' EMD . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.536 ' CA ' ' HA ' ' A' ' 122' ' ' GLN . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 121' ' ' LEU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.475 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.509 HD11 ' SD ' ' A' ' 137' ' ' MET . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 154' ' ' LEU . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.459 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 150' ' ' TYR . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.477 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.735 ' O ' HD11 ' A' ' 100' ' ' LEU . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.528 ' C24' HG21 ' A' ' 124' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 159' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -132.27 -81.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.15 160.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.472 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 157' ' ' MET . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.633 ' CZ ' ' H71' ' A' ' 1' ' ' EMD . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.464 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' HG3' ' A' ' 137' ' ' MET . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HD2' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.592 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 129' ' ' THR . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.517 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.635 HG22 HD11 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.709 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.548 HG21 ' HD1' ' A' ' 153' ' ' PHE . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.548 ' HD1' HG21 ' A' ' 148' ' ' ILE . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' HZ ' HD21 ' A' ' 136' ' ' LEU . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.666 ' O ' HD21 ' A' ' 97' ' ' LEU . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' GLY . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.633 ' H71' ' CZ ' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER 71.2 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.492 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 -178.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.419 ' HB2' ' CA ' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.873 HD21 ' O ' ' A' ' 157' ' ' MET . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 97' ' ' LEU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD11 ' H ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.473 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' ' 105' ' ' ASP . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 114' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' HG23 ' A' ' 112' ' ' ILE . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.548 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 124' ' ' THR . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 10.3 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 127' ' ' THR . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.699 ' O ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 132' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.481 ' HA3' ' C2 ' ' A' ' 1' ' ' EMD . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.465 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.479 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.521 ' O ' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.402 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.873 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.602 ' H ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.572 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 93' ' ' SER . 39.3 mmtm -103.75 -80.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.457 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.3 p 81.38 177.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.383 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.748 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.471 ' HA ' ' OE2' ' A' ' 116' ' ' GLU . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' OE2' ' HA ' ' A' ' 105' ' ' ASP . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.858 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 121' ' ' LEU . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 147' ' ' ARG . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.711 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 97' ' ' LEU . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.748 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.402 ' H ' HD21 ' A' ' 97' ' ' LEU . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.71 HG12 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.71 ' OE1' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.692 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -126.13 -171.4 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m -159.53 -173.82 4.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.842 HD22 ' CE ' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 106' ' ' LYS . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 133' ' ' ILE . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.814 ' O ' HG22 ' A' ' 124' ' ' THR . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.814 HG22 ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.898 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.898 HD12 ' C ' ' A' ' 127' ' ' THR . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.805 HD22 ' H13' ' A' ' 1' ' ' EMD . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.474 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.541 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' CB ' ' O2 ' ' A' ' 1' ' ' EMD . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.842 ' CE ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.532 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.805 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 154.68 2.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -131.6 -172.42 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.191 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.064 HD13 HD23 ' A' ' 154' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.541 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.453 ' CB ' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE1' HG23 ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.949 HD11 ' C7 ' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.571 ' HE3' HG21 ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.717 ' O ' HG23 ' A' ' 124' ' ' THR . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.749 HD12 HD13 ' A' ' 133' ' ' ILE . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 120' ' ' MET . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.749 HD13 HD12 ' A' ' 121' ' ' LEU . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.514 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' O ' ' O2 ' ' A' ' 1' ' ' EMD . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' HB2' ' OE2' ' A' ' 152' ' ' GLU . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CD ' ' HB3' ' A' ' 111' ' ' TYR . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.542 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.624 ' CE2' ' N4 ' ' A' ' 1' ' ' EMD . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.665 ' O ' HD21 ' A' ' 97' ' ' LEU . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.772 ' O ' HG12 ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.679 ' N ' HD11 ' A' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.949 ' C7 ' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.2 mptt -135.45 -54.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.144 0.497 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER 83.01 157.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.924 HD13 HD23 ' A' ' 154' ' ' LEU . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' HE2' ' A' ' 157' ' ' MET . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.791 ' CZ ' ' H71' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.673 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 43.1 mm-40 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.569 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.439 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.724 ' CG2' HD11 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.526 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 152' ' ' GLU . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 143' ' ' ASN . 0.5 OUTLIER 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 HD13 ' A' ' 97' ' ' LEU . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.896 ' O ' HD21 ' A' ' 97' ' ' LEU . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.791 ' H71' ' CZ ' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HE3' ' CB ' ' A' ' 96' ' ' GLU . 1.2 mmmt -126.83 -168.2 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 0.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p -142.31 160.84 39.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.416 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.004 HD22 ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.487 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 15.2 t-20 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 117' ' ' LEU . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.677 HD12 HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.731 ' CG ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 128' ' ' ILE . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.85 HG21 ' C23' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.524 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.748 HD13 ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.846 HD11 ' H13' ' A' ' 1' ' ' EMD . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 2.4 m120 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 19.8 t-20 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.49 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.506 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CG ' ' C2 ' ' A' ' 1' ' ' EMD . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . 1.004 ' SD ' HD22 ' A' ' 100' ' ' LEU . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.85 ' C23' HG21 ' A' ' 124' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' HG2' ' C ' ' A' ' 91' ' ' GLY . 11.1 mmmt 70.72 -65.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.055 0.455 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 69.11 175.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.43 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 112' ' ' ILE . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 107' ' ' ASN . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.478 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' OE1' HG23 ' A' ' 112' ' ' ILE . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 1.001 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 1.001 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 127' ' ' THR . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.583 HG22 ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 129' ' ' THR . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 114' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.447 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 137' ' ' MET . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.475 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 160' ' ' VAL . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.58 ' O ' HD11 ' A' ' 100' ' ' LEU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.562 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.511 ' H71' ' CE2' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -159.52 153.46 23.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.21 -159.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.117 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.906 ' CE2' ' H71' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 137' ' ' MET . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 133' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 121' ' ' LEU . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.545 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 131' ' ' ASP . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.54 ' H ' HG23 ' A' ' 129' ' ' THR . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.545 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.814 HD11 HD12 ' A' ' 121' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.592 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.871 ' O ' HD21 ' A' ' 97' ' ' LEU . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.906 ' H71' ' CE2' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -69.67 127.92 34.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m -64.55 178.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CA ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.441 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.45 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 128' ' ' ILE . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 121' ' ' LEU . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 136' ' ' LEU . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.446 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.478 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.527 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.55 ' SD ' HG23 ' A' ' 160' ' ' VAL . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.456 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.55 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.516 ' O2 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -172.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m -173.75 -175.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.421 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 133' ' ' ILE . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.601 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.61 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 154' ' ' LEU . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.474 ' HB2' H161 ' A' ' 1' ' ' EMD . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.692 ' C12' HD13 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HE2' ' OE1' ' A' ' 96' ' ' GLU . 8.0 mtpt 48.59 -155.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.03 0.443 . . . . 0.0 110.374 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.41 -178.26 7.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' OE1' ' HE2' ' A' ' 92' ' ' LYS . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.982 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.593 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.453 ' CE1' ' H71' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.845 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 124' ' ' THR . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 128' ' ' ILE . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 34.9 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.53 HG23 ' OD2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.5 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.527 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.505 HD12 ' O2 ' ' A' ' 1' ' ' EMD . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.552 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 97' ' ' LEU . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.847 ' SD ' HD13 ' A' ' 100' ' ' LEU . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.982 ' O ' HD11 ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.845 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 91' ' ' GLY . 4.3 mttm 65.47 178.09 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m -107.31 140.78 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.283 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.85 HD13 HD23 ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' CE2' ' H71' ' A' ' 1' ' ' EMD . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' NZ ' HG21 ' A' ' 119' ' ' ILE . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.685 HG22 HD12 ' A' ' 117' ' ' LEU . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.542 HD11 ' SD ' ' A' ' 137' ' ' MET . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 113' ' ' ASP . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.44 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 128' ' ' ILE . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 120' ' ' MET . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 127' ' ' THR . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 121' ' ' LEU . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.707 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.542 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' OD1' ' CG ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.85 HD23 HD13 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.82 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.874 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.707 ' N4 ' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 -176.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.105 0.479 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -137.77 176.65 8.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.157 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.47 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' C ' ' CD1' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.826 HD11 ' C7 ' ' A' ' 1' ' ' EMD . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 128' ' ' ILE . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 121' ' ' LEU . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.548 ' OD1' HD12 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.759 ' CG2' HD11 ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 156' ' ' PHE . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.415 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.461 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.65 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.449 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.504 ' CD2' ' CD2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.449 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 97' ' ' LEU . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.842 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.826 ' C7 ' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.753 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 159' ' ' GLY . 5.0 mtmm -111.82 81.24 1.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 0.0 110.438 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -78.66 -168.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 ' SD ' ' A' ' 157' ' ' MET . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' NH1' ' HB2' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.543 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.632 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.547 HD13 HG12 ' A' ' 128' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 120' ' ' MET . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.632 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 136' ' ' LEU . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.554 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.412 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 153' ' ' PHE . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.468 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.714 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 148' ' ' ILE . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.731 ' SD ' HD22 ' A' ' 100' ' ' LEU . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.695 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HB2' ' HA3' ' A' ' 159' ' ' GLY . 8.8 mttt -55.48 83.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -56.62 164.63 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.483 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.779 ' HG2' HD22 ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.97 HD13 ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.791 HD13 ' CE1' ' A' ' 153' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 112' ' ' ILE . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.681 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.99 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 124' ' ' THR . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' O ' H263 ' A' ' 1' ' ' EMD . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 128' ' ' ILE . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 127' ' ' THR . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.796 HD13 ' OD2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.687 ' H ' HG22 ' A' ' 128' ' ' ILE . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.015 HD11 ' C12' ' A' ' 1' ' ' EMD . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 144' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 14.7 p-10 -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.433 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.709 HG21 ' HD1' ' A' ' 153' ' ' PHE . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 149' ' ' ASP . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 112' ' ' ILE . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 94' ' ' GLU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.97 ' SD ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 92' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 1.015 ' C12' HD11 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -91.27 -81.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.138 0.494 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.08 -161.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.592 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.78 HD11 ' HE3' ' A' ' 157' ' ' MET . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.813 HD11 ' CG2' ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 119' ' ' ILE . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.592 HD21 ' H13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 115' ' ' GLU . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD22 HD13 ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 119' ' ' ILE . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.9 HD13 HD22 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.813 ' CG2' HD11 ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 114' ' ' LEU . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 97' ' ' LEU . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.78 ' HE3' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.592 ' H13' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.62 -75.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 110.544 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 174.58 152.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CD2' ' HE1' ' A' ' 157' ' ' MET . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.571 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.551 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.563 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 133' ' ' ILE . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.563 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' GLU . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.416 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.488 ' HB2' HG23 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.623 ' CE2' HD23 ' A' ' 97' ' ' LEU . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.511 HD23 HD13 ' A' ' 97' ' ' LEU . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.576 ' CD1' ' N3 ' ' A' ' 1' ' ' EMD . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' A' ' 97' ' ' LEU . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.886 ' C12' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 93' ' ' SER . 16.6 mtmm -106.65 -77.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 0.0 110.627 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p 176.55 144.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.516 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.485 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 112' ' ' ILE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.693 ' HE2' HD13 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 128' ' ' ILE . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.729 HG21 HD13 ' A' ' 121' ' ' LEU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 114' ' ' LEU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.547 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.606 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 0.6 OUTLIER 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.815 ' HB2' HG22 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.559 ' N4 ' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.758 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.29 -156.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.09 0.472 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -154.24 168.07 27.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.445 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.528 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HE2' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 114' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.599 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.827 HD12 HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.785 HG22 ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.785 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.559 ' H ' HG23 ' A' ' 129' ' ' THR . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.827 HG13 HD12 ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.548 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 147' ' ' ARG . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.54 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.54 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.527 ' SD ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.534 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.705 ' O ' HD21 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.599 ' N4 ' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.55 -169.43 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.13 0.491 . . . . 0.0 110.501 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p -140.77 171.68 13.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.611 HD13 ' CG ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.733 ' CE1' HD12 ' A' ' 112' ' ' ILE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.708 ' CE1' HG21 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.733 HD12 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.559 ' O ' HD12 ' A' ' 117' ' ' LEU . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.738 HD13 ' SD ' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.602 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.586 HD13 ' N ' ' A' ' 119' ' ' ILE . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 127' ' ' THR . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 132' ' ' ASP . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 128' ' ' ILE . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.485 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.604 HD13 ' C12' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.738 ' SD ' HD13 ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.474 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.414 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.474 ' HG2' ' HB3' ' A' ' 142' ' ' LYS . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 154' ' ' LEU . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.611 ' CG ' HD13 ' A' ' 100' ' ' LEU . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.471 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.604 ' C12' HD13 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -84.21 169.11 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.062 0.458 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.21 179.68 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.405 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' O ' ' A' ' 157' ' ' MET . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.528 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 119' ' ' ILE . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.855 HD21 HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.919 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.563 ' C ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 117' ' ' LEU . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.551 ' C ' HG22 ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.675 ' O ' HD21 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.855 HD22 HD21 ' A' ' 117' ' ' LEU . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.427 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 16.5 m120 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.441 ' OD2' ' HG3' ' A' ' 147' ' ' ARG . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.441 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.811 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.459 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.811 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.551 ' N ' HD11 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.808 ' H13' HD11 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' A' ' 96' ' ' GLU . 11.5 mtpp 56.3 84.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 0.0 110.393 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -169.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' HG3' HD22 ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' ' 92' ' ' LYS . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 159' ' ' GLY . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.446 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' SD ' ' A' ' 103' ' ' MET . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.635 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 128' ' ' ILE . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 121' ' ' LEU . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.687 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.518 ' HB2' ' CG1' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.479 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.621 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.415 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.446 ' HB ' HD21 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.621 ' S1 ' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -99.57 -170.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.04 165.24 36.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.499 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD22 ' HG2' ' A' ' 157' ' ' MET . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.3 t-20 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 137' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 114' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 116' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.528 HG21 ' C23' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 127' ' ' THR . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 133' ' ' ILE . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.814 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.685 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.474 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASP . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.581 ' HE1' H171 ' A' ' 1' ' ' EMD . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.814 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 163.72 14.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.27 168.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.033 HD13 ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.599 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.855 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.517 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.82 ' O ' HG23 ' A' ' 124' ' ' THR . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 120' ' ' MET . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 127' ' ' THR . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.916 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.516 HG21 ' HD2' ' A' ' 153' ' ' PHE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.855 ' CE2' HD13 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.033 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.789 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.486 ' C ' HD11 ' A' ' 97' ' ' LEU . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.599 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.916 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -129.91 151.11 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.012 0.434 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -170.44 -155.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.467 -179.861 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.652 HD21 ' CA ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 104' ' ' PHE . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.674 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.789 HD12 HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.789 HG12 HD12 ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.561 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.448 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.511 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 147' ' ' ARG . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.409 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.652 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' H ' HD11 ' A' ' 100' ' ' LEU . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.674 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' GLU . 0.7 OUTLIER 64.7 -154.38 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.984 0.421 . . . . 0.0 110.492 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 97' ' ' LEU . 28.2 m 63.72 -165.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 157' ' ' MET . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 153' ' ' PHE . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.101 HD22 HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.988 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.68 HD11 HD22 ' A' ' 136' ' ' LEU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 129' ' ' THR . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.849 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.542 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 130' ' ' GLU . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.101 HD23 HD22 ' A' ' 117' ' ' LEU . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.938 ' HG2' HD11 ' A' ' 148' ' ' ILE . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.478 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.938 HD11 ' HG2' ' A' ' 137' ' ' MET . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.577 HD23 ' HG ' ' A' ' 97' ' ' LEU . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CD2' ' N3 ' ' A' ' 1' ' ' EMD . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.999 ' O ' HD11 ' A' ' 97' ' ' LEU . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.793 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.953 ' C13' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 52.5 mtpt 53.64 -179.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p -158.52 169.25 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 157' ' ' MET . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 100' ' ' LEU . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 116' ' ' GLU . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 118' ' ' LYS . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HB2' HG23 ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' ' 114' ' ' LEU . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 119' ' ' ILE . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.439 ' HE3' H172 ' A' ' 1' ' ' EMD . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 130' ' ' GLU . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 137' ' ' MET . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD22 ' H13' ' A' ' 1' ' ' EMD . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.511 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.749 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -112.29 -170.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.452 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.15 -174.03 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.769 HD11 HG22 ' A' ' 133' ' ' ILE . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 133' ' ' ILE . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 124' ' ' THR . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.609 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.499 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 114' ' ' LEU . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.639 HD22 ' H13' ' A' ' 1' ' ' EMD . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.481 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 ' HD1' ' A' ' 153' ' ' PHE . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.671 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' HD1' HG21 ' A' ' 148' ' ' ILE . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 97' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.485 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.703 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.582 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.471 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' EMD . . . . . 0.639 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 1.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.072 0.463 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 160' ' ' VAL . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 125' ' ' GLY . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 121' ' ' LEU . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.536 ' CA ' ' HA ' ' A' ' 122' ' ' GLN . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 121' ' ' LEU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.509 HD11 ' SD ' ' A' ' 137' ' ' MET . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 154' ' ' LEU . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.459 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 150' ' ' TYR . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.477 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.735 ' O ' HD11 ' A' ' 100' ' ' LEU . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.016 0.436 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.472 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 157' ' ' MET . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.464 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' HG3' ' A' ' 137' ' ' MET . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HD2' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.592 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 129' ' ' THR . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.517 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.635 HG22 HD11 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.709 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.548 HG21 ' HD1' ' A' ' 153' ' ' PHE . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.548 ' HD1' HG21 ' A' ' 148' ' ' ILE . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.442 ' HZ ' HD21 ' A' ' 136' ' ' LEU . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.666 ' O ' HD21 ' A' ' 97' ' ' LEU . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.078 0.466 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.873 HD21 ' O ' ' A' ' 157' ' ' MET . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 97' ' ' LEU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD11 ' H ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.473 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' ' 105' ' ' ASP . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 114' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' HG23 ' A' ' 112' ' ' ILE . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 124' ' ' THR . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.6 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 127' ' ' THR . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.699 ' O ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 132' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.465 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.521 ' O ' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.873 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.602 ' H ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.146 0.498 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.748 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.501 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.858 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 121' ' ' LEU . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 147' ' ' ARG . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.711 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 97' ' ' LEU . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.748 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.402 ' H ' HD21 ' A' ' 97' ' ' LEU . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.71 HG12 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.71 ' OE1' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.101 0.477 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.842 HD22 ' CE ' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 106' ' ' LYS . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 133' ' ' ILE . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.814 ' O ' HG22 ' A' ' 124' ' ' THR . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.814 HG22 ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.898 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.898 HD12 ' C ' ' A' ' 127' ' ' THR . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.541 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.842 ' CE ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.532 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.98 0.419 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.064 HD13 HD23 ' A' ' 154' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.541 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.453 ' CB ' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE1' HG23 ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.949 ' CD2' HD22 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.571 ' HE3' HG21 ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.717 ' O ' HG23 ' A' ' 124' ' ' THR . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.749 HD12 HD13 ' A' ' 133' ' ' ILE . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 120' ' ' MET . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.749 HD13 HD12 ' A' ' 121' ' ' LEU . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.514 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' HB2' ' OE2' ' A' ' 152' ' ' GLU . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CD ' ' HB3' ' A' ' 111' ' ' TYR . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.423 ' C ' ' OD1' ' A' ' 149' ' ' ASP . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.665 ' O ' HD21 ' A' ' 97' ' ' LEU . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.679 ' N ' HD11 ' A' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.1 0.476 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.924 HD13 HD23 ' A' ' 154' ' ' LEU . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' HE2' ' A' ' 157' ' ' MET . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.673 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 8.8 mm100 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.569 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.439 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.724 ' CG2' HD11 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 152' ' ' GLU . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 143' ' ' ASN . 13.7 t-20 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 HD13 ' A' ' 97' ' ' LEU . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.896 ' O ' HD21 ' A' ' 97' ' ' LEU . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.101 0.477 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.416 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.004 HD22 ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.487 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 36.6 t30 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 117' ' ' LEU . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.677 HD12 HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.731 ' CG ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 128' ' ' ILE . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.524 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.748 HD13 ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 136' ' ' LEU . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.455 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 6.5 m-20 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 14.9 t30 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.49 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.455 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.506 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 1.004 ' SD ' HD22 ' A' ' 100' ' ' LEU . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.065 0.46 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 112' ' ' ILE . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.501 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.478 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 1.001 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 1.001 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 127' ' ' THR . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.583 HG22 ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 129' ' ' THR . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 114' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.503 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.475 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 160' ' ' VAL . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.58 ' O ' HD11 ' A' ' 100' ' ' LEU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.562 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.997 0.427 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 137' ' ' MET . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 133' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 121' ' ' LEU . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.545 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 131' ' ' ASP . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.54 ' H ' HG23 ' A' ' 129' ' ' THR . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.545 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.814 HD11 HD12 ' A' ' 121' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.422 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.871 ' O ' HD21 ' A' ' 97' ' ' LEU . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CA ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.441 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.45 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 128' ' ' ILE . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 121' ' ' LEU . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 136' ' ' LEU . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.446 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.512 ' ND2' ' OD1' ' A' ' 149' ' ' ASP . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.527 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.55 ' SD ' HG23 ' A' ' 160' ' ' VAL . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.456 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.55 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.219 0.533 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.54 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.421 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 133' ' ' ILE . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.601 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.47 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 77.9 m-20 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.47 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 154' ' ' LEU . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.163 0.506 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' LEU . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.982 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.593 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 124' ' ' THR . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 128' ' ' ILE . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 7.1 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.53 HG23 ' OD2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 148' ' ' ILE . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 140' ' ' GLY . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.552 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 97' ' ' LEU . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.847 ' SD ' HD13 ' A' ' 100' ' ' LEU . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.982 ' O ' HD11 ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.977 0.418 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.85 HD13 HD23 ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' NZ ' HG21 ' A' ' 119' ' ' ILE . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.685 HG22 HD12 ' A' ' 117' ' ' LEU . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.542 HD11 ' SD ' ' A' ' 137' ' ' MET . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.44 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 128' ' ' ILE . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 120' ' ' MET . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 127' ' ' THR . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 121' ' ' LEU . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 136' ' ' LEU . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.542 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.478 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.478 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.85 HD23 HD13 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.82 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.874 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 121.001 0.429 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.47 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.462 ' OD1' ' OE1' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 128' ' ' ILE . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 121' ' ' LEU . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.548 ' OD1' HD12 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.759 ' CG2' HD11 ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 156' ' ' PHE . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.461 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.449 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.504 ' CD2' ' CD2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.449 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 97' ' ' LEU . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.842 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.068 0.461 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 ' SD ' ' A' ' 157' ' ' MET . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.52 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.543 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.632 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.422 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.547 HD13 HG12 ' A' ' 128' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 120' ' ' MET . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.632 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 136' ' ' LEU . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.554 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 153' ' ' PHE . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.468 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.714 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 148' ' ' ILE . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.731 ' SD ' HD22 ' A' ' 100' ' ' LEU . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.404 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 121.119 0.485 . . . . 0.0 110.483 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.779 ' HG2' HD22 ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.97 HD13 ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.791 HD13 ' CE1' ' A' ' 153' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 112' ' ' ILE . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.596 ' CD2' HD22 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.99 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 124' ' ' THR . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 128' ' ' ILE . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 127' ' ' THR . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.796 HD13 ' OD2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.687 ' H ' HG22 ' A' ' 128' ' ' ILE . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 117' ' ' LEU . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.474 ' OD1' ' ND2' ' A' ' 143' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.474 ' ND2' ' OD1' ' A' ' 141' ' ' ASP . 0.1 OUTLIER -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.709 HG21 ' HD1' ' A' ' 153' ' ' PHE . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 149' ' ' ASP . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 112' ' ' ILE . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 94' ' ' GLU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.97 ' SD ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 158' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.12 0.486 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.813 HD11 ' CG2' ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 119' ' ' ILE . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 115' ' ' GLU . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.9 HD22 HD13 ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 119' ' ' ILE . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.9 HD13 HD22 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.813 ' CG2' HD11 ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 114' ' ' LEU . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 97' ' ' LEU . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.533 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.038 0.447 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.465 ' CG ' ' SD ' ' A' ' 120' ' ' MET . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.571 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.551 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.563 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 133' ' ' ILE . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.563 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' GLU . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.416 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.488 ' HB2' HG23 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.661 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.511 HD23 HD13 ' A' ' 97' ' ' LEU . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.661 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' A' ' 97' ' ' LEU . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.485 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 112' ' ' ILE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.693 ' HE2' HD13 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 128' ' ' ILE . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.729 HG21 HD13 ' A' ' 121' ' ' LEU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 114' ' ' LEU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 144' ' ' ASN . 21.0 t-20 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.815 ' HB2' HG22 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.528 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HE2' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.481 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 114' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.481 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.827 HD12 HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.785 HG22 ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.785 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.559 ' H ' HG23 ' A' ' 129' ' ' THR . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.827 HG13 HD12 ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 147' ' ' ARG . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.54 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.54 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.527 ' SD ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.534 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.705 ' O ' HD21 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.102 0.477 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.733 ' CE1' HD12 ' A' ' 112' ' ' ILE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.708 ' CE1' HG21 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' ND2' ' OE1' ' A' ' 116' ' ' GLU . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.733 HD12 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.559 ' O ' HD12 ' A' ' 117' ' ' LEU . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.738 HD13 ' SD ' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.586 ' N ' HD13 ' A' ' 119' ' ' ILE . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 127' ' ' THR . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 132' ' ' ASP . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 128' ' ' ILE . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.485 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.738 ' SD ' HD13 ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.474 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 7.4 m-20 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 154' ' ' LEU . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.666 ' HE3' HD22 ' A' ' 100' ' ' LEU . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.471 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.027 0.442 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' O ' ' A' ' 157' ' ' MET . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.528 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 119' ' ' ILE . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.855 HD21 HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.919 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.563 ' C ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 117' ' ' LEU . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.551 ' C ' HG22 ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.675 ' O ' HD21 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.855 HD22 HD21 ' A' ' 117' ' ' LEU . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 82.1 m-20 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.441 ' OD2' ' HG3' ' A' ' 147' ' ' ARG . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.441 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.811 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.459 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.811 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.551 ' N ' HD11 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.047 0.451 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.562 ' HG3' HD22 ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 159' ' ' GLY . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.446 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' SD ' ' A' ' 103' ' ' MET . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.635 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 128' ' ' ILE . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 121' ' ' LEU . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.687 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.518 ' CB ' HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 137' ' ' MET . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.415 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.446 ' HB ' HD21 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.151 0.501 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD22 ' HG2' ' A' ' 157' ' ' MET . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 t30 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 137' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 114' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 116' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 127' ' ' THR . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 133' ' ' ILE . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.685 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASP . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.567 ' HG2' HD22 ' A' ' 100' ' ' LEU . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.116 0.484 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.033 HD13 ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.599 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.855 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.517 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.82 ' O ' HG23 ' A' ' 124' ' ' THR . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 120' ' ' MET . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 127' ' ' THR . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.516 HG21 ' HD2' ' A' ' 153' ' ' PHE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.855 ' CE2' HD13 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.033 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.789 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.486 ' C ' HD11 ' A' ' 97' ' ' LEU . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.599 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.652 HD21 ' CA ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 104' ' ' PHE . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.789 HD12 HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.789 HG12 HD12 ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 136' ' ' LEU . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.448 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.511 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 147' ' ' ARG . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.409 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.652 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.419 ' H ' HD11 ' A' ' 100' ' ' LEU . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 97' ' ' LEU . 28.2 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 157' ' ' MET . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 153' ' ' PHE . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.101 HD22 HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.988 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.68 HD11 HD22 ' A' ' 136' ' ' LEU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 129' ' ' THR . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.849 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.542 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 130' ' ' GLU . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.101 HD23 HD22 ' A' ' 117' ' ' LEU . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.938 ' HG2' HD11 ' A' ' 148' ' ' ILE . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.938 HD11 ' HG2' ' A' ' 137' ' ' MET . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.577 HD23 ' HG ' ' A' ' 97' ' ' LEU . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.999 ' O ' HD11 ' A' ' 97' ' ' LEU . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.793 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.093 0.473 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 157' ' ' MET . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 100' ' ' LEU . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 116' ' ' GLU . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 118' ' ' LYS . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HB2' HG23 ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' ' 114' ' ' LEU . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 119' ' ' ILE . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 130' ' ' GLU . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 137' ' ' MET . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 136' ' ' LEU . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.181 0.515 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.769 HD11 HG22 ' A' ' 133' ' ' ILE . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 133' ' ' ILE . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 124' ' ' THR . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.609 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.499 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 114' ' ' LEU . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.481 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 ' HD1' ' A' ' 153' ' ' PHE . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.671 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.429 ' HD1' HG21 ' A' ' 148' ' ' ILE . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 97' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.485 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.703 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.582 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . 0.471 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HE3' ' CG ' ' A' ' 96' ' ' GLU . 14.2 mtpp 66.46 -61.56 0.3 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 110.464 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' GLY . 1.3 m 77.28 -175.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -13.38 30.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.525 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.86 -52.46 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' CG ' ' HE3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -75.92 -34.3 59.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.905 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 159' ' ' GLY . 9.3 mt -58.59 -41.32 85.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.3 m -55.35 -49.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -63.32 -51.08 67.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.447 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 160' ' ' VAL . 14.0 mt -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.31 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.8 t80 -45.55 -55.46 6.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.169 0.509 . . . . 0.0 109.914 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -69.28 -34.81 75.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.292 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tpt -56.99 -25.21 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.775 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -100.25 -30.8 11.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.121 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -74.0 118.24 16.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.929 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -113.6 4.26 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.457 ' OD1' ' OD1' ' A' ' 109' ' ' ASP . 30.4 p30 -116.97 5.5 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.771 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.42 61.03 2.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.779 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.457 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 12.9 p-10 -127.47 -24.64 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.162 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 95.93 18.12 33.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 69.5 m-85 -152.1 130.49 12.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.043 0.449 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 2.4 mp -93.94 145.5 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.23 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -131.43 167.91 18.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.53 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 2.2 tp -62.46 -42.05 99.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.358 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -50.61 -31.42 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.303 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -87.74 -43.51 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.336 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -43.07 -64.06 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -44.27 -46.35 9.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.4 -28.21 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.086 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.502 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 3.4 tpt -73.38 -38.44 65.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.098 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.519 ' CD2' ' O18' ' A' ' 1' ' ' EMD . 13.8 mt -72.5 -55.45 6.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.199 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CA ' ' A' ' 126' ' ' GLU . 81.7 mt-30 -51.22 -27.34 8.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.61 -35.39 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.649 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.528 HG21 ' C24' ' A' ' 1' ' ' EMD . 14.3 t -100.92 3.64 41.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 136.79 89.15 0.24 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.536 ' CA ' ' HA ' ' A' ' 122' ' ' GLN . 23.4 pt-20 -58.83 -143.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 126' ' ' GLU . 5.2 t 42.93 55.83 4.26 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.172 0.51 . . . . 0.0 110.257 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.457 HG21 HD13 ' A' ' 121' ' ' LEU . 8.2 mm -120.53 120.62 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.022 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.4 t -47.16 152.23 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.496 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 1.5 tt0 -67.95 -13.05 61.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.635 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 0.2 OUTLIER -78.8 2.39 20.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -109.1 -16.88 14.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.468 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 118' ' ' LYS . 19.0 mt -88.13 -52.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -50.14 12.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.655 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 1.4 tt0 -47.93 -37.32 14.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -76.81 -46.06 26.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.603 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.509 ' SD ' HD11 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -65.5 -44.71 86.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.784 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -55.45 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -70.86 -7.76 47.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.475 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -116.94 19.55 12.03 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' ASN . 4.1 t0 -127.78 52.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -50.05 -35.55 25.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.009 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.504 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 60.4 m-20 -74.41 -20.03 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.277 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 141' ' ' ASP . 48.3 t-20 55.32 53.02 10.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.43 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -117.04 -9.05 11.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.71 31.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 112' ' ' ILE . 3.4 ptt180 -158.3 -179.0 7.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 110.522 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.509 HD11 ' SD ' ' A' ' 137' ' ' MET . 0.9 OUTLIER -118.07 154.48 20.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.141 179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.4 p-10 -119.24 177.45 4.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.46 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 154' ' ' LEU . 9.1 t80 -68.02 -13.81 62.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.666 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.459 ' HB2' ' OD2' ' A' ' 149' ' ' ASP . 0.4 OUTLIER -92.61 -62.02 1.48 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.464 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.504 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 81.6 mt-10 -59.66 -43.19 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.362 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.557 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 59.5 t80 -57.32 -51.28 70.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.257 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 150' ' ' TYR . 9.8 mt -54.6 -25.33 25.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.518 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.1 -60.57 2.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.28 -25.95 68.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.557 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 1.4 tpt -97.43 56.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.183 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.28 55.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.634 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.477 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 77.76 63.09 2.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.735 ' O ' HD11 ' A' ' 100' ' ' LEU . 32.0 t -98.88 156.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.054 0.454 . . . . 0.0 110.253 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 3.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.528 ' C24' HG21 ' A' ' 124' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 159' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -132.27 -81.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.15 160.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 3.6 mt-10 -61.22 -45.67 93.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.98 -43.82 60.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.34 -33.51 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.082 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -53.0 -47.14 68.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.162 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -42.31 -36.72 1.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.008 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.472 ' HA ' ' HG2' ' A' ' 102' ' ' ARG . 83.7 m-20 -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.879 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 157' ' ' MET . 0.2 OUTLIER -42.88 -35.77 1.3 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.838 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.2 t80 -65.24 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.582 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 99' ' ' ASP . 8.8 ptp180 -54.02 -23.49 13.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.436 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' ASP . 55.6 tpp -69.22 -45.63 69.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.931 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.633 ' CZ ' ' H71' ' A' ' 1' ' ' EMD . 2.5 t80 -76.89 -40.58 46.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.275 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -68.21 119.77 13.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.441 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -104.64 11.38 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 29.1 p30 -123.94 -4.66 8.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.585 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.62 52.78 14.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 22.1 p-10 -118.0 0.9 11.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.637 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 79.94 12.45 83.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 42.9 m-85 -147.73 148.76 31.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.073 0.463 . . . . 0.0 110.733 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 147' ' ' ARG . 1.9 mp -112.13 139.52 36.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.77 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.464 ' CG ' ' HG3' ' A' ' 116' ' ' GLU . 1.3 p-10 -124.6 164.96 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.591 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.709 HD13 ' HG3' ' A' ' 137' ' ' MET . 62.4 tp -56.11 -32.21 63.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.865 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.2 mt-10 -64.32 -15.62 60.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.7 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 113' ' ' ASP . 4.7 mt-10 -102.44 -26.12 13.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -55.14 -51.15 67.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.737 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.452 ' HD2' HG21 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.02 -27.4 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.002 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 41.7 mt -59.06 -63.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.77 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -39.48 4.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 124' ' ' THR . 8.3 mt -72.6 -60.24 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -52.34 -28.07 17.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.245 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.1 -38.77 66.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.8 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 121' ' ' LEU . 4.9 t -78.92 61.24 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.574 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 53.54 28.37 36.81 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 0.3 OUTLIER 31.73 91.09 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 110.986 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 127' ' ' THR . 7.8 m -127.36 24.67 6.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.363 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 132' ' ' ASP . 15.8 mt -139.76 142.09 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.592 ' O ' HD12 ' A' ' 133' ' ' ILE . 13.6 t -96.74 -151.77 0.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 129' ' ' THR . 0.2 OUTLIER -93.57 39.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.086 0.469 . . . . 0.0 110.378 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -124.1 -6.81 7.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.734 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.517 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -119.72 -9.77 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.665 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.635 HG22 HD11 ' A' ' 114' ' ' LEU . 4.9 mt -87.8 -53.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.51 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 137' ' ' MET . 0.7 OUTLIER -78.25 -44.63 25.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 -179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -55.34 -48.41 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.28 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.68 HD23 ' HB2' ' A' ' 139' ' ' ASP . 0.2 OUTLIER -76.54 -25.81 54.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.503 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.709 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -46.82 -30.03 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.903 -179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -95.28 -5.66 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.177 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 136' ' ' LEU . 5.5 m-20 -76.38 -10.07 59.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.703 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -153.89 36.27 0.72 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' A' ' 137' ' ' MET . 31.1 t0 -136.3 57.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.128 0.49 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -55.07 -40.46 70.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 43.9 p30 -57.86 -16.68 12.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.517 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 38.5 t30 45.29 55.73 6.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.476 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -136.84 11.36 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 67.77 57.32 9.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 111' ' ' TYR . 18.6 ttp180 -177.83 162.97 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.035 0.445 . . . . 0.0 110.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.548 HG21 ' HD1' ' A' ' 153' ' ' PHE . 2.2 mm -121.98 146.38 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.429 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 3.7 m-20 -121.32 178.0 4.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 154' ' ' LEU . 11.0 t80 -60.73 -63.38 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.551 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 152' ' ' GLU . 7.5 p-10 -48.51 -46.24 38.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.517 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 151' ' ' ASP . 5.1 mt-10 -65.31 -56.98 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.548 ' HD1' HG21 ' A' ' 148' ' ' ILE . 10.7 t80 -59.0 -28.06 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.667 HD13 HD13 ' A' ' 97' ' ' LEU . 1.7 mm? -72.01 -26.57 62.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.62 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -54.0 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.547 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' HZ ' HD21 ' A' ' 136' ' ' LEU . 85.5 t80 -62.01 -59.37 5.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.666 ' O ' HD21 ' A' ' 97' ' ' LEU . 55.9 tpp -85.81 60.99 6.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.585 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 64.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.281 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 91' ' ' GLY . . . 61.03 61.24 7.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.87 117.41 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.08 0.467 . . . . 0.0 110.227 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 161' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.633 ' H71' ' CZ ' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.684 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' CA ' ' HB2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER 71.2 -68.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.049 0.452 . . . . 0.0 110.492 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 -178.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.79 -14.47 45.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 98' ' ' SER . 0.0 OUTLIER -71.28 -51.52 24.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.631 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.419 ' HB2' ' CA ' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -64.79 -46.38 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.419 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.873 HD21 ' O ' ' A' ' 157' ' ' MET . 1.9 mt -42.66 -42.44 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.211 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 97' ' ' LEU . 6.2 m -40.1 -43.75 1.67 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.964 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -65.07 -56.22 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.997 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD11 ' H ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -42.52 -32.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.355 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 2.1 t80 -65.15 -58.22 6.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.708 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.451 ' HA ' ' HB2' ' A' ' 105' ' ' ASP . 71.9 ttt180 -65.72 -37.56 86.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.34 -24.94 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.501 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 112' ' ' ILE . 1.9 t80 -101.63 -40.33 7.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.982 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.473 ' OD1' HG13 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -61.7 90.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.077 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.428 ' HE2' ' HB3' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -82.95 3.02 31.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.436 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 6.9 p30 -119.74 -18.43 8.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.033 0.444 . . . . 0.0 110.804 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 65.85 92.63 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.465 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 107' ' ' ASN . 10.3 p-10 -153.53 -37.95 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.455 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.459 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 115.53 11.09 10.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 87.0 m-85 -155.69 113.41 3.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.018 0.437 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' ' 105' ' ' ASP . 2.1 mp -71.26 141.38 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.046 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -118.61 164.45 15.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.532 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 114' ' ' LEU . 12.8 tp -50.56 -38.2 43.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.252 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.45 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.3 mm-40 -52.45 -40.94 62.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.224 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' HG23 ' A' ' 112' ' ' ILE . 91.4 mt-10 -77.65 -23.71 49.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.33 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.548 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -67.07 -49.25 65.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.297 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -64.23 -47.1 80.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.165 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 115' ' ' GLU . 90.5 mt -55.08 -36.15 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.608 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -23.56 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.845 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 124' ' ' THR . 32.8 mt -87.81 -54.05 4.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.497 . . . . 0.0 110.597 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.548 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.6 pt20 -60.15 -11.77 6.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.38 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.28 -17.81 14.19 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.098 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 121' ' ' LEU . 6.5 t -91.46 22.94 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.036 0.446 . . . . 0.0 110.598 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.474 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 127.01 -11.21 6.93 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER 40.28 43.83 1.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 110.669 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 127' ' ' THR . 8.9 t -126.25 40.42 3.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.561 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 27.0 mm -119.1 136.91 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.413 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -71.01 175.98 4.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.565 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.0 tm-20 -66.12 -57.79 6.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.685 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.17 -47.7 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.618 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.699 ' O ' HD12 ' A' ' 136' ' ' LEU . 0.6 OUTLIER -51.06 -22.2 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.764 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 130' ' ' GLU . 14.8 mt -85.2 -72.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -50.01 -42.77 49.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.354 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.74 -47.77 84.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 132' ' ' ASP . 2.6 mt -50.29 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.227 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -63.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -19.69 8.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.705 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 136' ' ' LEU . 0.4 OUTLIER -80.66 -26.57 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.448 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.481 ' HA3' ' C2 ' ' A' ' 1' ' ' EMD . . . -119.4 15.55 10.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -117.22 52.64 0.95 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.103 0.478 . . . . 0.0 110.451 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -56.19 -34.6 66.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.465 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 144' ' ' ASN . 50.4 t30 -71.51 -7.48 47.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 143' ' ' ASN . 1.0 OUTLIER 39.39 57.03 2.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.142 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.465 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 27.4 t0 -115.76 -5.13 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.649 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.0 16.87 57.28 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -165.3 -173.43 2.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.433 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.479 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 2.7 mm -117.53 139.98 42.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.6 m-20 -119.59 162.92 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.077 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.521 ' O ' HD23 ' A' ' 154' ' ' LEU . 2.5 t80 -39.9 -61.45 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.369 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -55.84 -59.55 4.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.254 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 36.4 t80 -51.67 -24.11 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.21 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -75.91 -17.4 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.72 -45.91 5.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.402 ' C ' ' HG2' ' A' ' 157' ' ' MET . 1.3 t80 -72.77 -14.39 61.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.592 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.873 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -128.97 62.38 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 68.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 45.11 68.33 0.98 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.0 t -94.32 -74.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.132 0.492 . . . . 0.0 110.534 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.602 ' H ' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.38 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.572 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 93' ' ' SER . 39.3 mmtm -103.75 -80.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.457 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.3 p 81.38 177.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.383 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -15.36 63.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.87 -29.46 55.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.414 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.66 -29.87 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.461 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.748 HD21 ' O ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -71.99 -41.22 67.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.309 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 m -46.15 -33.35 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.158 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 103' ' ' MET . 9.3 m-20 -79.86 -46.52 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -42.79 -70.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.715 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CD2' ' CG ' ' A' ' 153' ' ' PHE . 2.9 t80 -39.11 -54.76 1.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.017 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -65.6 -34.12 77.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.449 0.642 . . . . 0.0 109.718 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.539 ' N ' ' O ' ' A' ' 99' ' ' ASP . 1.1 tpt -59.75 -22.49 62.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 120' ' ' MET . 1.3 t80 -99.6 -29.61 12.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.892 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.471 ' HA ' ' OE2' ' A' ' 116' ' ' GLU . 0.9 OUTLIER -78.26 81.68 4.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.856 179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 8.9 mmmt -80.21 -3.69 50.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.478 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -139.92 -41.84 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.818 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.9 -169.6 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.435 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 0.1 OUTLIER -157.44 54.28 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.399 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.18 -25.89 0.19 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.574 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 93.9 m-85 -141.6 116.64 9.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.6 mt -79.78 142.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.09 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.45 164.52 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.48 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 137' ' ' MET . 2.0 tp -56.48 -35.6 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.8 -38.73 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.999 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 82.9 mt-10 -73.94 -45.01 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.086 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -48.22 -60.62 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.373 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -46.1 -58.54 3.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.858 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 71.6 mt -52.58 -28.94 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.26 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.69 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 128' ' ' ILE . 49.4 mt -107.81 -63.02 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.576 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -57.42 -53.14 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.708 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -58.44 -16.73 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.018 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 16.4 p -100.66 49.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.704 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 77.72 8.57 87.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.1 pt-20 37.66 49.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 0.0 110.718 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.0 p -92.45 25.96 2.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.131 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.551 HD12 HD22 ' A' ' 121' ' ' LEU . 14.2 mt -150.89 142.92 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.446 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -91.57 169.5 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.462 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 133' ' ' ILE . 1.6 tt0 -59.57 -19.96 52.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.541 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.82 -17.74 17.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.487 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -97.96 -5.14 34.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.852 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.516 ' O ' ' CB ' ' A' ' 137' ' ' MET . 59.2 mt -87.56 -66.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.93 -56.24 19.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.41 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.3 OUTLIER -45.42 -49.43 13.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.342 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 7.2 tpt -53.01 -37.25 61.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.699 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -15.02 62.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.728 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 21.0 m-20 -83.21 -74.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.671 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -51.17 -21.27 5.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 143' ' ' ASN . 22.1 t0 -100.91 49.7 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.57 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.815 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.509 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 35.7 p30 -61.15 -14.72 26.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.634 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 43.8 t30 63.99 54.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.08 -11.22 8.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 85.33 13.17 71.5 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.574 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 17.1 ptt180 -149.8 179.96 7.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.069 0.462 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 147' ' ' ARG . 1.4 mm -117.3 151.04 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.451 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -119.91 155.39 32.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.711 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.77 -29.84 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 1.0 OUTLIER -76.41 -66.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.626 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.509 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 42.7 mt-10 -54.59 -30.42 54.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.561 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 28.2 t80 -73.46 -38.01 65.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.75 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 HD13 ' A' ' 97' ' ' LEU . 11.3 mt -70.87 -42.67 69.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.919 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -75.41 -24.78 57.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.14 -179.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -80.52 -42.84 21.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.999 0.428 . . . . 0.0 110.795 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.748 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.41 74.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.548 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 ptmm? -65.24 79.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.226 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.402 ' H ' HD21 ' A' ' 97' ' ' LEU . . . 56.37 58.83 12.32 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.71 HG12 ' OE1' ' A' ' 161' ' ' GLU . 63.1 t -68.73 -70.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.07 0.462 . . . . 0.0 110.63 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.71 ' OE1' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.461 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.692 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -126.13 -171.4 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 1.5 m -159.53 -173.82 4.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' HA ' ' HG ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -51.73 -39.15 57.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.504 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 0.6 OUTLIER -41.89 -32.14 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.375 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.24 -47.31 8.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD12 ' CD2' ' A' ' 154' ' ' LEU . 9.5 mt -49.48 -40.19 36.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -51.36 -24.05 4.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.162 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 103' ' ' MET . 95.2 m-20 -89.03 -56.99 3.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.187 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.842 HD22 ' CE ' ' A' ' 157' ' ' MET . 8.5 mt -42.38 -41.2 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.527 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 4.8 t80 -61.5 -71.9 0.13 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.918 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.39 -42.97 64.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.462 0.648 . . . . 0.0 109.439 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.7 tpp -52.0 -33.91 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.831 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.33 -49.75 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -43.35 99.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.145 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 106' ' ' LYS . 20.6 mmmt -67.19 -20.86 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.617 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.788 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.33 104.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.22 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -152.34 -39.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.623 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.511 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 132.53 -1.56 4.82 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.589 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 53.9 m-85 -147.38 144.85 29.0 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.087 0.47 . . . . 0.0 110.581 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.3 mt -105.43 141.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.764 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -116.44 171.64 7.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.941 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 117' ' ' LEU . 1.5 mt -57.62 -59.07 5.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -37.52 -61.03 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.364 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -48.23 -38.08 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.094 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.81 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.445 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HB3' HG21 ' A' ' 133' ' ' ILE . 5.9 ptpt -37.47 -35.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' ALA . 54.1 mt -69.56 -59.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.416 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.79 -28.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.723 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.814 ' O ' HG22 ' A' ' 124' ' ' THR . 3.9 mt -70.96 -72.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.65 -20.71 57.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.921 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -72.46 -30.36 64.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.953 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.814 HG22 ' O ' ' A' ' 121' ' ' LEU . 11.0 t -93.92 28.5 2.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 54.34 57.45 17.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -117.28 161.47 19.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 110.437 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.898 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -115.88 105.4 12.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.611 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.898 HD12 ' C ' ' A' ' 127' ' ' THR . 2.0 mp -130.82 148.91 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.09 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.63 67.59 1.16 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.601 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 47.15 28.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.676 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -120.65 -14.57 8.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.81 -10.68 13.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.61 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.518 HG21 ' HB3' ' A' ' 118' ' ' LYS . 53.2 mt -85.4 -58.26 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.85 -53.08 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.809 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -49.21 -62.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.758 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.805 HD22 ' H13' ' A' ' 1' ' ' EMD . 2.2 tt -54.26 -54.24 42.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.851 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 1.7 tpt -52.98 -31.3 40.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.704 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -83.64 -34.93 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.327 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.95 -27.79 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.658 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.474 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -129.62 62.15 0.65 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 137' ' ' MET . 62.2 t0 -162.69 75.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.528 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -59.96 -15.12 19.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.446 ' O ' ' OD1' ' A' ' 143' ' ' ASN . 60.7 t-20 -76.24 -33.47 59.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.219 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.66 36.41 24.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.251 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.84 -8.4 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.756 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.462 ' C ' ' CE ' ' A' ' 137' ' ' MET . . . 94.0 9.6 59.41 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.3 ttm180 -126.46 156.78 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.092 0.472 . . . . 0.0 110.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.482 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 7.6 mm -119.09 140.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 150' ' ' TYR . 30.7 t0 -123.66 170.58 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.2 t80 -44.09 -72.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.444 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -39.34 -69.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -46.34 -53.04 11.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 157' ' ' MET . 42.9 t80 -55.85 -32.12 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.541 ' CD2' HD12 ' A' ' 97' ' ' LEU . 13.0 mt -75.19 -20.5 59.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.717 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.71 -58.47 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' CB ' ' O2 ' ' A' ' 1' ' ' EMD . 5.8 t80 -76.32 -43.9 39.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.333 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.842 ' CE ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -95.76 61.13 2.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.34 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.84 34.71 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.765 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.532 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 99.65 63.55 0.82 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 30.3 m -113.63 20.78 6.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.108 0.48 . . . . 0.0 110.437 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.465 ' N ' HD11 ' A' ' 100' ' ' LEU . 4.7 mt-10 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.378 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.805 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 154.68 2.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -131.6 -172.42 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.191 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -39.33 -32.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.216 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.3 tp10 -49.14 -40.8 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.342 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -41.05 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.53 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.064 HD13 HD23 ' A' ' 154' ' ' LEU . 3.4 mt -60.26 -46.55 89.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.483 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -39.86 -31.54 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.502 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 -39.62 21.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD11 ' N ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -55.65 -36.31 66.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.11 -37.16 83.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.229 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -67.77 -61.05 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 6.6 ptm -43.6 -32.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.62 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.541 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -79.67 -48.62 13.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.537 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD2' ' N ' ' A' ' 110' ' ' GLY . 0.5 OUTLIER -62.57 112.4 2.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.107 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -111.98 4.25 18.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.939 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 14.0 p30 -116.74 -21.36 9.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.089 0.471 . . . . 0.0 110.386 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.37 55.36 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.057 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.453 ' CB ' ' OD1' ' A' ' 107' ' ' ASN . 33.6 p-10 -125.08 -10.65 7.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 105' ' ' ASP . . . 77.97 14.39 82.37 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' HB3' ' CD ' ' A' ' 147' ' ' ARG . 42.4 m-85 -146.51 124.73 12.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.046 0.45 . . . . 0.0 110.225 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 1.7 mp -91.07 130.92 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.351 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -118.61 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.017 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 137' ' ' MET . 1.4 tp -69.86 -6.37 32.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -86.61 8.82 20.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE1' HG23 ' A' ' 112' ' ' ILE . 14.8 mt-10 -130.51 -47.72 1.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.949 HD11 ' C7 ' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -49.26 -53.35 22.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.709 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.571 ' HE3' HG21 ' A' ' 133' ' ' ILE . 21.9 mttt -39.72 -54.97 2.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 24.0 mt -56.91 -38.38 59.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.591 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.717 ' O ' HG23 ' A' ' 124' ' ' THR . 8.1 tpt -61.81 -49.97 74.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.985 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.749 HD12 HD13 ' A' ' 133' ' ' ILE . 46.0 mt -68.06 -58.88 3.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.03 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 2.0 mm-40 -54.43 -19.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.52 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 119' ' ' ILE . . . -87.1 -24.48 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 120' ' ' MET . 59.3 p -97.16 65.83 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.774 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' C ' ' CG ' ' A' ' 126' ' ' GLU . . . 78.85 -4.72 60.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.2 pt-20 38.95 39.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.111 0.482 . . . . 0.0 110.471 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.96 54.18 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.187 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 15.4 mt -145.46 133.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.644 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -160.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.1 -11.81 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.642 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.43 -22.57 61.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -82.47 -39.11 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.256 179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.749 HD13 HD12 ' A' ' 121' ' ' LEU . 25.9 mm -50.67 -49.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -52.55 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.15 -50.8 66.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 117' ' ' LEU . 6.9 tt -44.07 -70.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.444 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.514 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . 5.5 tpp -49.77 -34.8 20.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.11 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 138' ' ' LYS . 2.8 tptm -77.99 0.94 22.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.71 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -87.87 -33.69 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' O ' ' O2 ' ' A' ' 1' ' ' EMD . . . -138.27 49.65 0.83 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 137' ' ' MET . 23.1 t0 -122.43 56.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.045 0.45 . . . . 0.0 110.321 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.71 -20.29 3.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' HB2' ' OE2' ' A' ' 152' ' ' GLU . 36.5 t30 -73.92 -22.22 59.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.943 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 55.33 50.96 13.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.399 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.409 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 0.3 OUTLIER -138.72 29.16 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.461 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.82 34.36 21.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.517 ' CD ' ' HB3' ' A' ' 111' ' ' TYR . 4.6 ttm180 -152.93 171.62 18.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.137 0.494 . . . . 0.0 110.545 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.542 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 12.2 mm -117.12 154.52 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -128.46 -177.56 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.201 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -51.04 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -45.5 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 9.8 mt-10 -70.5 -47.23 61.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.421 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 5.9 t80 -59.38 -39.82 84.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.328 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.064 HD23 HD13 ' A' ' 97' ' ' LEU . 30.3 mt -70.92 -20.52 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.959 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.39 -50.31 5.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.624 ' CE2' ' N4 ' ' A' ' 1' ' ' EMD . 4.1 t80 -75.89 -33.5 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.723 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.665 ' O ' HD21 ' A' ' 97' ' ' LEU . 31.9 mmm -105.11 65.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.703 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -75.26 72.27 2.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.484 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 59.97 62.74 5.74 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 160' ' ' VAL . 58.1 t -88.06 18.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.105 0.479 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.679 ' N ' HD11 ' A' ' 100' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.949 ' C7 ' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 93' ' ' SER . 2.2 mptt -135.45 -54.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.144 0.497 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER 83.01 157.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.05 -30.65 6.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.391 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -52.02 65.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 99' ' ' ASP . 1.8 mm-40 -55.82 -49.06 74.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.924 HD13 HD23 ' A' ' 154' ' ' LEU . 1.1 mt -39.83 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.498 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -50.39 -36.55 33.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.238 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 96' ' ' GLU . 17.7 m-20 -73.47 -47.07 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.347 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' HE2' ' A' ' 157' ' ' MET . 0.5 OUTLIER -42.81 -54.18 4.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.34 -48.98 36.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.165 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -71.76 -33.75 68.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.619 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -63.65 -21.75 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.765 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.791 ' CZ ' ' H71' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -92.5 -57.81 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.368 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -46.97 118.67 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.53 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -97.64 5.05 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.48 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.691 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 10.8 p30 -125.27 -33.47 2.84 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 85.35 68.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.482 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 13.5 p-10 -126.92 -35.71 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.22 10.34 20.41 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -150.12 98.41 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.038 0.447 . . . . 0.0 110.621 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.53 146.75 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.926 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.11 -174.33 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.724 HD11 ' CG2' ' A' ' 133' ' ' ILE . 54.6 tp -71.2 -41.48 70.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.496 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.86 -57.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 41.7 mt-10 -55.01 -32.14 61.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.603 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -60.45 -27.7 67.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.263 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 133' ' ' ILE . 2.0 mmmm -76.8 -49.03 16.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.81 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 37.4 mt -58.21 -32.41 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.333 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.673 ' O ' HG23 ' A' ' 124' ' ' THR . 0.3 OUTLIER -69.29 -41.67 76.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.585 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 124' ' ' THR . 20.0 mt -70.7 -73.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.371 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 8.8 mm100 -37.62 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.283 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -71.0 -48.11 55.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.483 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -48.4 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.53 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 127' ' ' THR . . . -146.29 12.55 1.6 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 1.1 pt-20 33.9 35.22 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.137 0.494 . . . . 0.0 110.715 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 125' ' ' GLY . 0.0 OUTLIER -115.65 38.82 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.211 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 129' ' ' THR . 82.7 mt -124.06 159.59 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.564 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.569 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.7 p -93.78 -175.98 3.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.184 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 20.68 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 1.7 m-20 -110.51 -0.11 17.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.65 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.439 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.5 m-20 -106.37 -11.06 16.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.497 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.724 ' CG2' HD11 ' A' ' 114' ' ' LEU . 1.9 mp -86.33 -61.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.548 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.98 -49.6 71.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 18.4 mt-10 -51.19 -55.4 18.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.887 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.4 OUTLIER -62.37 -57.37 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.585 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -29.09 9.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.717 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.88 -68.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.382 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -27.05 67.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.4 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.526 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -62.57 -20.52 61.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -106.45 50.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.092 0.473 . . . . 0.0 110.499 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -40.49 9.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.499 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 152' ' ' GLU . 23.1 t30 -61.25 -36.46 80.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.549 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB3' ' O ' ' A' ' 143' ' ' ASN . 13.7 t-20 75.77 59.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.556 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.57 22.5 2.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.431 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 147' ' ' ARG . . . 60.44 39.92 96.94 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 36.7 ptt180 174.0 171.74 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.42 153.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.61 172.7 9.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.157 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -54.0 -21.67 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.183 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -76.14 -64.58 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.183 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE1' ' HB2' ' A' ' 143' ' ' ASN . 2.5 mt-10 -58.14 -38.31 76.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.892 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' MET . 11.3 t80 -66.01 -51.36 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.387 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.924 HD23 HD13 ' A' ' 97' ' ' LEU . 18.6 mt -55.1 -37.95 67.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.5 -53.99 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.18 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.73 -61.45 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.896 ' O ' HD21 ' A' ' 97' ' ' LEU . 1.7 tpt -88.41 66.58 8.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -77.27 80.88 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.286 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 50.76 62.17 5.48 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.7 -71.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.057 0.456 . . . . 0.0 110.525 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.431 ' HG3' ' HE2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.508 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.791 ' H71' ' CZ ' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HE3' ' CB ' ' A' ' 96' ' ' GLU . 1.2 mmmt -126.83 -168.2 1.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.986 0.422 . . . . 0.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.6 p -142.31 160.84 39.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' HG2' ' CD2' ' A' ' 154' ' ' LEU . 6.6 mt-10 -43.5 -31.79 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.48 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.05 -52.86 63.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' LEU . 3.0 mm-40 -67.8 -36.37 80.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.452 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 157' ' ' MET . 2.5 mt -38.65 -43.77 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.464 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.416 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 70.5 m -43.59 -31.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.01 -54.27 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.142 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.004 HD22 ' SD ' ' A' ' 157' ' ' MET . 1.2 mt -42.93 -49.47 5.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 5.8 t80 -53.57 -63.01 1.29 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.869 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -41.67 75.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -51.07 -31.05 17.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.727 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 -44.59 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 112' ' ' ILE . 26.2 t0 -79.04 122.43 26.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.637 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 23.11 9.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.55 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.487 ' HB2' ' OE2' ' A' ' 116' ' ' GLU . 36.6 t30 -118.5 8.06 11.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.88 50.15 18.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.739 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 105' ' ' ASP . 19.6 p-10 -120.97 -31.84 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.402 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 91.11 25.29 24.72 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 147' ' ' ARG . 97.9 m-85 -157.06 116.99 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.078 0.466 . . . . 0.0 110.641 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.677 HG22 HD12 ' A' ' 117' ' ' LEU . 5.1 mm -71.4 121.64 21.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.201 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -116.33 143.31 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.304 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 118' ' ' LYS . 0.8 OUTLIER -39.99 -45.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.498 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -32.17 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE2' ' HB2' ' A' ' 107' ' ' ASN . 48.8 mt-10 -99.25 -44.68 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.373 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.677 HD12 HG22 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -47.22 -58.06 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.731 ' CG ' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -53.29 -43.61 67.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.049 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.413 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 60.4 mt -58.06 -24.51 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' LEU . 0.4 OUTLIER -75.57 -39.88 57.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.218 179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 128' ' ' ILE . 30.3 mt -69.35 -47.06 65.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.155 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 0.3 OUTLIER -64.25 -13.66 50.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.721 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.58 -24.87 16.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.85 HG21 ' C23' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -92.28 54.99 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.503 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 126' ' ' GLU . . . 82.55 -2.31 85.81 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.524 ' HG3' ' N ' ' A' ' 127' ' ' THR . 16.9 pt-20 38.84 -152.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.926 0.393 . . . . 0.0 110.359 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.524 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 12.7 m 75.07 34.81 0.64 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.324 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.748 HD13 ' HB3' ' A' ' 121' ' ' LEU . 4.6 mt -121.96 149.82 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -173.09 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -32.44 65.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.449 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -49.67 -26.16 3.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.628 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -91.79 -22.18 20.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.721 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.731 HD13 ' CG ' ' A' ' 118' ' ' LYS . 20.2 mt -86.35 -39.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.92 -63.78 1.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.726 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.63 -31.96 27.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.208 0.528 . . . . 0.0 110.242 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.846 HD11 ' H13' ' A' ' 1' ' ' EMD . 2.5 tm? -77.07 -36.24 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.874 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -83.66 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.925 -179.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.25 -34.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.955 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -84.25 -20.79 31.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.763 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 137' ' ' MET . . . -93.25 12.9 68.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -131.36 64.11 1.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.081 0.467 . . . . 0.0 110.428 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -38.56 76.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.317 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.455 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 6.5 m-20 -66.77 -19.9 65.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.564 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 14.9 t30 59.11 65.76 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.86 -26.09 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.85 15.51 22.09 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -159.27 -170.61 3.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.428 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 112' ' ' ILE . 23.7 mm -116.92 122.26 69.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -116.46 175.04 5.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.49 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -56.42 -40.28 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.554 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.98 -69.74 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.455 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 24.5 mt-10 -54.53 -50.12 68.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.126 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 27.8 t80 -53.49 -59.68 4.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.389 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.506 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 5.8 mt -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.733 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -74.73 -67.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.727 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CG ' ' C2 ' ' A' ' 1' ' ' EMD . 26.1 t80 -48.65 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.781 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 1.004 ' SD ' HD22 ' A' ' 100' ' ' LEU . 15.9 ttm -88.88 69.38 8.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.731 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 61.95 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.641 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 56.58 64.71 4.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.9 102.93 12.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.163 0.506 . . . . 0.0 110.386 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.85 ' C23' HG21 ' A' ' 124' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' HG2' ' C ' ' A' ' 91' ' ' GLY . 11.1 mmmt 70.72 -65.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.055 0.455 . . . . 0.0 110.593 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER 69.11 175.39 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.43 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.74 -15.67 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 96' ' ' GLU . 11.2 pt-20 -55.99 -36.61 68.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 tm-20 -87.78 -49.43 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.376 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.51 HD13 HD23 ' A' ' 154' ' ' LEU . 13.0 mt -39.97 -48.26 2.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.261 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -41.68 -36.41 0.96 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.039 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -79.82 -48.95 12.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.218 179.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.7 mt -45.8 -42.35 12.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.236 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 112' ' ' ILE . 29.7 t80 -69.4 -32.96 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.261 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 99' ' ' ASP . 10.1 ttp85 -76.65 -60.53 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.042 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.483 ' HG2' ' HA ' ' A' ' 100' ' ' LEU . 2.3 ppp? -43.93 -31.41 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.989 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' CZ ' ' SD ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -77.71 -55.45 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.238 179.749 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.64 118.26 11.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.367 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 22.15 1.83 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.885 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 107' ' ' ASN . 7.6 p30 -122.8 18.55 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.17 0.51 . . . . 0.0 110.351 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.98 89.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.513 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.0 p-10 -157.41 -37.67 0.07 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.338 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.38 14.24 62.25 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' O ' ' OD2' ' A' ' 109' ' ' ASP . 83.9 m-85 -153.69 94.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.271 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.478 HG23 ' OE1' ' A' ' 116' ' ' GLU . 2.2 mt -46.22 135.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.439 0.638 . . . . 0.0 110.547 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 115' ' ' GLU . 3.5 p30 -125.17 -158.01 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.612 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -83.92 -44.74 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 -179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.52 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -39.42 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.821 -179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' OE1' HG23 ' A' ' 112' ' ' ILE . 9.5 mt-10 -90.67 -51.5 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.353 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -42.56 -59.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.494 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -42.42 -49.54 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.357 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 1.001 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 50.8 mt -57.12 -43.03 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.521 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -67.71 -5.91 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.292 -179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 133' ' ' ILE . 75.3 mt -111.42 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.075 0.464 . . . . 0.0 111.015 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.76 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.507 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 1.001 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -43.79 73.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.081 0.467 . . . . 0.0 110.312 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.48 -24.53 56.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.121 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 103.52 21.71 9.62 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 109.911 -1.275 . . . . 0.0 109.911 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.548 ' HB3' HD12 ' A' ' 128' ' ' ILE . 3.2 tt0 -84.24 153.38 23.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.803 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 127' ' ' THR . 1.3 t -91.75 89.66 7.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.225 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.583 HG22 ' N ' ' A' ' 129' ' ' THR . 10.1 mt -140.88 162.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.545 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 129' ' ' THR . 5.8 t -151.55 74.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.161 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 49.05 30.33 2.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.187 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -10.59 9.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.6 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.424 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.4 OUTLIER -109.83 -16.7 13.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.611 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 114' ' ' LEU . 4.3 mt -87.25 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.607 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.19 -18.61 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.824 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -86.97 -44.93 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.715 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -79.24 -30.95 43.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.814 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 146' ' ' GLY . 0.0 OUTLIER -62.73 -54.1 44.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.849 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -58.65 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.775 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -47.76 78.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.795 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.447 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -67.7 -7.22 47.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 137' ' ' MET . 22.8 t0 -111.42 53.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.673 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -49.2 -52.89 23.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -56.25 -25.0 46.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.448 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.96 69.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.444 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -118.52 -24.07 6.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.528 ' O ' ' CE ' ' A' ' 137' ' ' MET . . . 125.97 -22.89 5.97 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -132.3 -156.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.4 mm -120.19 152.81 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.263 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -116.07 170.86 8.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -67.06 -14.28 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.782 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -64.03 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 19.8 mt-10 -50.58 -30.81 14.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.475 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 59.3 t80 -68.43 -44.63 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.235 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 97' ' ' LEU . 16.1 mt -56.54 -45.42 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.682 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -57.32 -71.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.7 -28.03 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.728 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 160' ' ' VAL . 9.5 tpp -115.29 64.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -87.64 30.6 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.829 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 122.02 53.94 0.22 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.58 ' O ' HD11 ' A' ' 100' ' ' LEU . 69.7 t -86.86 160.37 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 110.472 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.562 ' N ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.394 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.511 ' H71' ' CE2' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -159.52 153.46 23.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.583 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.21 -159.49 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.117 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -53.6 -26.74 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -70.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.44 -32.09 73.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.526 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.871 HD21 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -44.63 -50.71 9.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.492 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -43.63 14.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.93 -46.63 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -43.43 -34.3 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.431 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.93 -61.61 1.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.54 -39.54 84.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.434 0.635 . . . . 0.0 109.416 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -30.85 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.651 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.906 ' CE2' ' H71' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -83.94 -47.34 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.154 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 115.61 11.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.081 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -95.22 -9.01 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.011 -179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -116.79 -14.97 10.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.09 0.471 . . . . 0.0 110.447 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.09 86.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.433 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 11.3 p-10 -126.76 -38.49 2.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.26 -29.49 3.47 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.435 ' HB3' ' HB2' ' A' ' 147' ' ' ARG . 25.0 m-85 -126.13 131.51 52.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.451 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.474 ' O ' HG12 ' A' ' 148' ' ' ILE . 1.6 mp -84.0 138.62 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.586 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 173.58 8.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.429 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.669 HD11 ' SD ' ' A' ' 137' ' ' MET . 3.0 mp -59.67 -36.98 77.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.55 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -46.2 45.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 55.5 mt-10 -75.87 -41.57 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.534 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -45.25 -51.83 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.548 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 7.7 mttt -54.44 -44.53 72.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.771 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 20.3 mt -54.16 -45.42 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.372 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.6 ttt -55.61 -26.27 43.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.139 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.814 HD12 HD11 ' A' ' 133' ' ' ILE . 23.2 mt -90.23 -51.1 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.269 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 126' ' ' GLU . 15.6 mt-30 -61.4 -27.64 68.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.142 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.44 -39.42 74.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 121' ' ' LEU . 5.2 t -83.5 58.61 4.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.532 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 58.37 27.33 60.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' GLY . 7.6 pt-20 35.48 57.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.104 0.478 . . . . 0.0 110.665 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.451 ' O ' HG13 ' A' ' 128' ' ' ILE . 19.9 p -99.8 32.13 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.652 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.545 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 1.4 mp -150.64 144.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.54 HG23 ' H ' ' A' ' 131' ' ' ASP . 12.8 t -83.57 -157.41 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.555 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.71 -25.27 16.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.526 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.54 ' H ' HG23 ' A' ' 129' ' ' THR . 1.2 m-20 -63.31 -16.07 59.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.527 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.545 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.4 m-20 -80.65 -20.26 43.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.814 HD11 HD12 ' A' ' 121' ' ' LEU . 2.0 mp -83.85 -68.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.411 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -49.9 38.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.797 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -53.31 -40.23 64.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.611 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 132' ' ' ASP . 0.1 OUTLIER -81.36 -24.37 37.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.803 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.669 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -75.46 -18.44 59.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.855 -179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -34.39 59.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.478 . . . . 0.0 110.544 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -54.01 4.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -59.36 -20.12 49.66 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' MET . 17.2 t0 -103.9 51.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.198 0.523 . . . . 0.0 110.185 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -42.51 -49.08 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -19.29 65.82 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.043 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 141' ' ' ASP . 24.2 t-20 49.36 71.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.378 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 28.7 t0 -118.75 -26.92 5.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.475 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.43 34.96 1.5 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 111' ' ' TYR . 4.2 ptp85 175.81 176.85 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 110.208 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 112' ' ' ILE . 2.5 mm -116.81 142.36 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.441 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -118.99 158.97 24.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.3 -48.57 13.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.51 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -54.59 -67.5 0.26 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.64 -53.95 39.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.592 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.592 ' CE1' ' HE2' ' A' ' 157' ' ' MET . 17.0 t80 -48.92 -48.28 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.908 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 154' ' ' LEU . 6.5 mt -52.86 -66.18 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.954 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.19 -63.85 0.99 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.391 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.83 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.342 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.871 ' O ' HD21 ' A' ' 97' ' ' LEU . 39.3 tpp -77.39 63.12 2.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.513 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -81.04 53.67 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 86.91 59.97 1.73 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' A' ' 157' ' ' MET . 1.4 t -123.73 143.19 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.906 ' H71' ' CE2' ' A' ' 104' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -69.67 127.92 34.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.032 0.444 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 19.7 m -64.55 178.32 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.67 -13.29 61.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.98 -36.62 83.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.405 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' LEU . 20.1 mt-10 -85.2 -46.13 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.609 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.456 HD21 ' CA ' ' A' ' 159' ' ' GLY . 15.8 mt -40.1 -45.52 1.99 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -39.99 -29.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.569 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -84.36 -53.96 5.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.583 -179.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.441 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.6 OUTLIER -42.53 -59.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 12.5 t80 -43.84 -45.84 7.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.156 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -72.58 -46.86 52.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.426 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -35.22 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.861 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 0.2 OUTLIER -79.02 -55.66 4.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.448 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.4 89.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.499 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -90.94 13.6 16.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' CB ' ' OE2' ' A' ' 116' ' ' GLU . 16.7 t30 -117.45 -3.76 11.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.65 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.36 58.17 5.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.45 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -127.42 3.31 6.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.683 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 71.29 8.91 66.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.5 m-85 -154.02 104.29 2.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.036 0.446 . . . . 0.0 110.568 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.2 mp -63.3 139.06 21.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.264 0.554 . . . . 0.0 110.063 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -120.18 179.91 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.4 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' CG2' ' A' ' 133' ' ' ILE . 0.5 OUTLIER -63.74 -41.91 97.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.141 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -58.65 -20.9 51.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.155 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 4.0 mt-10 -95.69 -26.06 15.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.39 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -63.25 -59.68 4.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 121' ' ' LEU . 37.6 mttt -38.69 -46.54 1.25 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.218 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.1 mt -46.81 -41.14 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.671 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 tpt -65.55 -16.92 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.401 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 128' ' ' ILE . 5.7 mt -107.44 -44.14 4.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.389 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -59.93 -44.54 94.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.579 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.01 -25.5 64.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' A' ' 121' ' ' LEU . 2.7 p -88.25 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.52 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.26 1.88 82.07 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 125' ' ' GLY . 4.9 pt-20 37.9 67.33 0.4 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.119 0.485 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 49.99 2.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.32 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.795 HG21 HD13 ' A' ' 121' ' ' LEU . 16.3 mm -127.19 144.48 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.392 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.8 t -78.37 141.95 38.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.592 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 tt0 -51.59 -23.6 4.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.513 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -36.01 70.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.589 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -64.36 -61.01 2.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.668 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.0 mt -47.41 -43.51 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -71.51 -66.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 138' ' ' LYS . 6.7 tt0 -56.37 -60.99 2.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.889 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 136' ' ' LEU . 2.1 tt -42.89 -32.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.657 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 1.5 ttt -80.17 -31.64 38.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 135' ' ' GLU . 1.6 mmtm -57.15 -42.62 81.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.73 -15.24 37.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.464 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.527 ' HA2' ' CE2' ' A' ' 156' ' ' PHE . . . -85.66 -17.77 61.28 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.3 t0 -103.22 50.75 0.8 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.446 ' HB2' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.53 -43.55 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.676 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 15.5 p30 -71.37 -27.22 63.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 56.0 t-20 64.52 68.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.391 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 143' ' ' ASN . 33.9 t70 -117.66 -22.79 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.519 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.19 -6.76 10.82 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 0.6 OUTLIER -147.03 -158.99 0.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.104 0.478 . . . . 0.0 110.471 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.478 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 7.0 mm -117.28 147.24 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.356 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 0.5 OUTLIER -116.43 179.26 4.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.373 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 154' ' ' LEU . 20.7 t80 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -76.53 -44.71 33.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.516 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 2.5 mt-10 -78.87 -38.35 37.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 27.0 t80 -64.82 -22.79 67.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 150' ' ' TYR . 4.6 mt -73.49 -57.32 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -64.39 -31.61 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.527 ' CE2' ' HA2' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -80.97 -29.46 35.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.578 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.55 ' SD ' HG23 ' A' ' 160' ' ' VAL . 22.1 tpp -124.07 61.21 1.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.564 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.9 65.42 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.456 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 72.68 55.24 6.74 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.55 HG23 ' SD ' ' A' ' 157' ' ' MET . 0.0 OUTLIER -129.33 111.38 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.129 0.49 . . . . 0.0 110.333 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.516 ' O2 ' ' CA ' ' A' ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -172.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 2.1 m -173.75 -175.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.838 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.54 ' CA ' ' HB2' ' A' ' 97' ' ' LEU . 4.5 pt-20 -34.46 -40.82 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.968 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -46.82 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -73.02 -28.79 62.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 157' ' ' MET . 1.0 OUTLIER -46.32 -46.21 18.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.593 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -39.75 -46.46 1.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.192 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.84 -54.96 38.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.794 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.23 -36.7 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.312 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -62.01 -58.58 7.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.172 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -61.53 -42.77 99.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.402 0.62 . . . . 0.0 109.328 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.46 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.74 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.52 -46.62 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.255 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 13.0 t0 -79.92 112.11 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.46 29.98 5.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.217 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' HB3' ' OD2' ' A' ' 109' ' ' ASP . 33.2 t30 -116.83 10.69 14.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.17 42.19 12.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 15.3 p30 -116.77 -22.12 8.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.357 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 77.58 21.55 71.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 90.2 m-85 -157.07 95.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.21 0.529 . . . . 0.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.421 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.6 mp -53.72 143.26 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.1 p30 -131.78 172.63 12.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.162 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 133' ' ' ILE . 7.5 tp -57.05 -29.58 63.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.407 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.92 -55.15 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.342 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.0 mt-10 -68.0 -32.49 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -48.44 -69.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.549 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HG2' HD13 ' A' ' 133' ' ' ILE . 28.3 mttt -45.34 -57.59 3.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.482 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.0 mt -53.52 -42.88 51.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -58.05 -53.87 53.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.133 0.492 . . . . 0.0 109.884 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.823 HD13 ' CD1' ' A' ' 128' ' ' ILE . 51.2 mt -53.72 -49.57 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.856 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -36.66 -51.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.842 179.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.15 -31.24 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.059 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 4.7 t -132.28 66.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . 125.2 31.33 0.86 Allowed Glycine 0 CA--C 1.525 0.687 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.346 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -44.34 -28.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.54 . . . . 0.0 110.012 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 t -68.39 60.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.216 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.823 ' CD1' HD13 ' A' ' 121' ' ' LEU . 79.0 mt -145.56 133.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.076 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 0.7 OUTLIER -126.0 63.35 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.902 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ILE . 1.3 tp10 82.12 -50.2 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 15.9 m-20 -38.71 -62.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.601 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -68.02 -12.59 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.107 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' GLU . 8.0 mt -87.58 -70.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -56.45 -45.19 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.967 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 1.2 tm-20 -54.1 -61.78 2.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.812 HD21 ' CE1' ' A' ' 156' ' ' PHE . 0.6 OUTLIER -63.7 -55.24 24.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 138' ' ' LYS . 15.3 tpt -43.3 -49.89 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.5 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -39.18 -54.76 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.585 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -31.79 63.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -64.94 -11.68 51.75 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.1 t0 -113.61 45.99 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.02 0.438 . . . . 0.0 110.542 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -45.6 -33.39 2.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.47 ' ND2' ' CD ' ' A' ' 152' ' ' GLU . 77.9 m-20 -81.2 -32.85 33.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.177 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 141' ' ' ASP . 14.5 t-20 70.82 65.59 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.518 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -123.9 -9.62 7.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.0 26.3 19.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -168.46 178.96 4.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.25 0.547 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.61 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 5.5 mm -119.79 132.45 69.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -119.47 173.6 6.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.131 0.491 . . . . 0.0 110.633 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' LEU . 0.4 OUTLIER -46.91 -50.22 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.641 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.814 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.47 ' CD ' ' ND2' ' A' ' 143' ' ' ASN . 57.9 mt-10 -57.73 -40.03 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 4.5 t80 -64.72 -42.75 95.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.934 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 154' ' ' LEU . 10.7 mt -61.7 -47.95 83.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.14 -79.72 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.029 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.812 ' CE1' HD21 ' A' ' 136' ' ' LEU . 2.8 t80 -48.1 -48.95 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.434 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -94.96 62.7 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.558 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -83.56 79.01 9.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.306 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.417 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 50.08 65.82 2.69 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 m -118.03 165.74 13.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 110.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.474 ' HB2' H161 ' A' ' 1' ' ' EMD . 3.2 tp10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.424 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.692 ' C12' HD13 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HE2' ' OE1' ' A' ' 96' ' ' GLU . 8.0 mtpt 48.59 -155.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.03 0.443 . . . . 0.0 110.374 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.41 -178.26 7.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.16 -32.15 71.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.47 -41.24 89.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.317 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' OE1' ' HE2' ' A' ' 92' ' ' LYS . 2.8 mt-10 -77.15 -38.49 51.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.362 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -38.87 -54.36 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.434 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -39.85 -53.8 2.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.951 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -51.1 -56.7 11.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.958 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.982 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.8 mt -42.63 -36.59 1.44 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.114 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.593 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 4.3 t80 -67.96 -68.13 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.834 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -51.37 -46.01 62.62 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.16 -31.77 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.046 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.453 ' CE1' ' H71' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -92.1 -38.16 12.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.836 179.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -74.07 111.95 9.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -107.86 18.63 21.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.519 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 109' ' ' ASP . 14.9 t30 -122.81 -10.68 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.791 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.47 46.02 10.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' ND2' ' A' ' 107' ' ' ASN . 25.2 p-10 -118.25 -22.23 7.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.57 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 90.89 18.86 45.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 75.2 m-85 -149.0 111.51 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.077 0.465 . . . . 0.0 110.581 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 153' ' ' PHE . 1.9 mp -73.9 140.55 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.088 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -125.17 169.87 11.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.394 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 133' ' ' ILE . 2.2 tp -47.88 -46.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.217 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.86 -63.94 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -51.58 -21.82 2.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.436 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.845 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -78.0 -2.32 36.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.716 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -104.52 -31.52 9.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.436 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.64 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 124' ' ' THR . 11.6 tpt -71.03 -38.81 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.303 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 128' ' ' ILE . 33.6 mt -71.28 -47.85 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.234 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CB ' ' A' ' 126' ' ' GLU . 7.1 mt-30 -67.63 -7.91 30.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.583 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -99.24 -25.45 14.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 124' ' ' THR . 9.7 t -115.06 76.58 1.0 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 93.73 -25.27 22.17 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.532 ' CB ' ' HA ' ' A' ' 122' ' ' GLN . 3.3 pt-20 39.48 -157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 23.2 m 61.86 57.16 2.22 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.283 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.53 HG23 ' OD2' ' A' ' 132' ' ' ASP . 35.5 mt -133.17 153.91 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.53 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 128' ' ' ILE . 62.9 p -96.01 171.19 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.557 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.5 mt-10 -65.74 -16.32 63.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.594 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 0.9 OUTLIER -62.65 -34.22 76.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.41 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.53 ' OD2' HG23 ' A' ' 128' ' ' ILE . 5.8 m-20 -72.99 -18.4 61.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.395 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 4.5 mm -87.74 -67.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.58 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.16 -35.27 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.575 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.7 OUTLIER -67.02 -68.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.5 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -57.22 -40.05 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.0 tpt -56.71 -48.72 77.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.601 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -54.2 -34.09 59.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.699 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -85.12 -8.88 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.527 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -109.56 22.44 24.25 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -143.82 61.85 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.583 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -72.25 -5.18 34.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.634 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.51 ' ND2' ' OD2' ' A' ' 145' ' ' ASP . 28.6 t30 -99.79 -19.25 16.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.173 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 2.3 m-20 61.27 56.99 2.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.499 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.51 ' OD2' ' ND2' ' A' ' 143' ' ' ASN . 0.2 OUTLIER -119.96 -15.64 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.687 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.86 39.79 5.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 173.97 -174.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.122 0.487 . . . . 0.0 110.407 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.505 HD12 ' O2 ' ' A' ' 1' ' ' EMD . 1.9 mm -116.8 148.39 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 1.7 m-20 -116.62 178.12 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.422 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.552 ' O ' HD12 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -67.09 -13.83 62.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.705 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -101.02 -42.14 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 53.5 mt-10 -68.98 -38.08 79.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.019 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 28.5 t80 -63.26 -43.05 99.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.224 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 97' ' ' LEU . 77.8 mt -61.62 -71.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 152' ' ' GLU . 0.0 OUTLIER -42.75 -28.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.512 -179.235 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -80.89 -31.32 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.847 ' SD ' HD13 ' A' ' 100' ' ' LEU . 4.5 ptp -146.82 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 110.691 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 76.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 56.58 57.32 20.05 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.982 ' O ' HD11 ' A' ' 100' ' ' LEU . 33.4 m -123.71 -170.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.084 0.468 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.359 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.845 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 91' ' ' GLY . 4.3 mttm 65.47 178.09 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.121 0.486 . . . . 0.0 110.405 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' GLU . 52.2 m -107.31 140.78 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.283 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -40.3 -37.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.296 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.83 -27.36 2.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.175 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -24.46 26.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.988 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.85 HD13 HD23 ' A' ' 154' ' ' LEU . 1.4 mt -62.81 -48.21 80.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 p -43.09 -30.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 4.6 m-20 -81.1 -44.05 18.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.4 OUTLIER -42.15 -44.92 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.446 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.98 -57.5 11.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -59.71 -36.16 75.97 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -27.06 61.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.223 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' CE2' ' H71' ' A' ' 1' ' ' EMD . 0.3 OUTLIER -100.0 -35.73 9.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.603 179.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.06 92.2 5.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.374 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' NZ ' HG21 ' A' ' 119' ' ' ILE . 5.8 ptmt -108.43 23.44 14.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -128.04 1.51 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.99 89.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.664 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 21.2 p-10 -157.48 -37.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.215 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 103.29 16.74 19.85 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CD1' ' HD3' ' A' ' 147' ' ' ARG . 64.6 m-85 -156.66 127.67 6.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.086 0.469 . . . . 0.0 110.695 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.685 HG22 HD12 ' A' ' 117' ' ' LEU . 6.8 mm -74.39 125.34 33.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.136 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.445 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.4 OUTLIER -116.3 149.19 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.505 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.542 HD11 ' SD ' ' A' ' 137' ' ' MET . 7.1 mp -46.51 -36.34 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.527 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -51.11 -24.52 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 113' ' ' ASP . 27.3 mt-10 -107.49 -37.48 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.627 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.685 HD12 HG22 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -52.09 -57.8 8.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -45.9 -59.36 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.44 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 84.9 mt -46.24 -41.05 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.171 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 124' ' ' THR . 1.2 tpt -58.39 -45.78 87.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.156 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 128' ' ' ILE . 44.6 mt -66.94 -57.93 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.509 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.8 mt-30 -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.355 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.15 -29.92 38.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 120' ' ' MET . 29.8 p -87.33 49.46 1.82 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 78.01 9.94 86.58 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 3.2 pt-20 39.64 -147.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.563 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 127' ' ' THR . 27.2 m 73.48 36.91 0.75 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.319 0.58 . . . . 0.0 109.793 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 121' ' ' LEU . 18.6 mm -119.85 144.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.489 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -95.14 -176.77 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.159 179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.403 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -73.04 -19.3 61.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.421 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -63.35 -59.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.472 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -45.21 -41.76 8.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.623 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 129' ' ' THR . 4.2 mt -69.14 -76.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.784 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.46 -44.92 25.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.964 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.5 tt0 -55.05 -65.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.331 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.707 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 1.3 tt -57.02 -34.38 68.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.09 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.542 ' SD ' HD11 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -65.13 -20.12 66.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.236 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 3.1 mptp? -79.05 -20.71 48.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.296 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -48.19 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.628 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -73.04 -7.2 70.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 137' ' ' MET . 13.2 t0 -110.07 52.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 0.0 110.541 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -43.65 79.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.41 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' OD1' ' CG ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -66.59 -15.05 63.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 55.71 63.62 2.0 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.602 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.415 ' CG ' ' OD1' ' A' ' 143' ' ' ASN . 0.9 OUTLIER -117.46 -15.57 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.445 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.38 40.74 5.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.557 ' HD3' ' CD1' ' A' ' 111' ' ' TYR . 5.5 ptp85 179.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 111' ' ' TYR . 19.2 mm -117.9 139.58 44.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.1 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -124.01 160.6 27.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.045 0.45 . . . . 0.0 110.6 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -38.77 60.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.121 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -64.48 -70.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.086 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -52.56 -40.33 62.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.008 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 157' ' ' MET . 71.9 t80 -61.88 -46.6 88.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.85 HD23 HD13 ' A' ' 97' ' ' LEU . 6.5 mt -59.72 -27.65 66.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -71.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 136' ' ' LEU . 35.5 t80 -55.26 -30.31 59.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.748 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.82 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -100.16 51.96 0.9 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -69.54 73.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 58.63 58.97 11.76 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.874 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.7 t -120.01 131.44 72.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.112 0.482 . . . . 0.0 110.554 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.707 ' N4 ' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.98 -176.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.105 0.479 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.3 m -137.77 176.65 8.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.157 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.78 -25.19 39.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -33.57 75.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.654 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -75.99 -50.36 15.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.57 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -37.07 -61.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.543 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.47 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 1.3 m -42.83 -36.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 103' ' ' MET . 13.2 m-20 -76.88 -44.82 30.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.842 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.3 mt -54.8 -34.44 62.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.175 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 101' ' ' PHE . 7.3 t80 -72.5 -49.82 30.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.941 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -64.2 -57.93 8.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.136 0.493 . . . . 0.0 110.221 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 0.9 OUTLIER -46.16 -33.63 3.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.083 179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -66.56 -41.07 89.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.76 118.17 21.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.494 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 -6.96 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.289 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 4.8 p30 -116.26 -20.38 9.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.194 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.21 79.4 0.18 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.584 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -123.39 -8.22 8.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 85.83 -4.09 86.3 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 55.3 m-85 -147.81 123.0 10.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.998 0.427 . . . . 0.0 110.389 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 116' ' ' GLU . 1.9 mp -80.41 142.94 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.134 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -122.64 160.22 26.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.684 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.759 HD11 ' CG2' ' A' ' 133' ' ' ILE . 17.5 tp -47.13 -27.73 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 18.9 mt-10 -60.95 -46.35 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.274 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 120' ' ' MET . 11.1 mt-10 -72.18 -19.42 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.826 HD11 ' C7 ' ' A' ' 1' ' ' EMD . 0.6 OUTLIER -72.75 -55.37 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.268 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -52.21 47.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.514 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mt -61.2 -26.38 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.283 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -76.57 -38.83 54.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.907 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 128' ' ' ILE . 71.2 mt -76.7 -49.65 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.946 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 49.3 mt-30 -52.36 -24.15 7.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.999 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 -17.3 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.252 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 120' ' ' MET . 44.4 p -94.25 17.01 13.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.473 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 105.19 14.86 21.38 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 6.9 pt-20 36.96 31.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.021 0.439 . . . . 0.0 110.842 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' GLY . 5.0 t -100.05 43.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.192 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 121' ' ' LEU . 28.8 mm -119.75 139.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.53 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 128' ' ' ILE . 15.5 p -78.96 176.66 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.28 74.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.532 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 23.4 m-20 -47.97 -45.14 31.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.548 ' OD1' HD12 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -66.73 -12.5 58.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.061 -179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.759 ' CG2' HD11 ' A' ' 114' ' ' LEU . 21.7 mm -87.85 -60.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.752 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.09 -43.39 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.227 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.4 OUTLIER -65.54 -61.24 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.679 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.68 HD21 ' CZ ' ' A' ' 156' ' ' PHE . 1.1 tt -48.66 -52.58 22.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.2 ttm -54.72 -53.34 56.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.962 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -68.13 -15.15 63.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.227 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 135' ' ' GLU . 0.3 OUTLIER -75.77 -14.37 60.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.522 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.415 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -132.65 13.83 5.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -102.37 50.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -8.12 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.792 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.568 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 26.4 t30 -65.99 -41.12 91.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 1.3 p-10 95.97 26.72 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.566 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.461 ' HB3' ' HG2' ' A' ' 147' ' ' ARG . 1.2 t70 -126.53 6.03 6.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.616 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.13 3.65 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.461 ' HG2' ' HB3' ' A' ' 145' ' ' ASP . 15.8 ptp180 -61.41 -171.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.133 0.492 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.65 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 19.0 mm -123.02 141.84 41.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.449 ' HB3' ' OE2' ' A' ' 152' ' ' GLU . 38.8 t70 -127.84 162.4 26.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.762 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.504 ' CD2' ' CD2' ' A' ' 154' ' ' LEU . 0.5 OUTLIER -42.21 -61.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.476 179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -43.73 -57.0 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.449 ' OE2' ' HB3' ' A' ' 149' ' ' ASP . 15.3 mt-10 -57.37 -49.88 74.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.998 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.564 ' CZ ' ' SD ' ' A' ' 157' ' ' MET . 8.1 t80 -56.86 -42.93 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.274 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 97' ' ' LEU . 2.0 mm? -49.02 -54.6 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.298 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.51 -72.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.269 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.68 ' CZ ' HD21 ' A' ' 136' ' ' LEU . 5.2 t80 -46.16 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.17 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.564 ' SD ' ' CZ ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -84.07 62.28 6.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.126 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 154' ' ' LEU . 1.5 mmtp -59.43 -15.13 15.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.713 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 138.96 64.53 0.04 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.842 ' O ' HD11 ' A' ' 100' ' ' LEU . 2.7 t -97.59 158.38 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.359 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.826 ' C7 ' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.753 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 159' ' ' GLY . 5.0 mtmm -111.82 81.24 1.42 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 0.0 110.438 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -78.66 -168.23 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -45.57 -39.43 7.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.87 -32.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.228 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.22 -54.76 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.376 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -39.71 -48.19 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.4 p -41.66 -28.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.673 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.91 -54.57 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.54 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.731 HD22 ' SD ' ' A' ' 157' ' ' MET . 5.7 mt -42.71 -29.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -68.55 -60.07 2.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.057 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' HB2' ' NH1' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -66.13 -35.64 81.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.553 179.354 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.5 tpp -55.94 -29.56 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.658 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.92 -53.03 3.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.94 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.7 106.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.151 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -102.29 20.34 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.7 p30 -122.28 -30.4 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 74.19 45.43 0.21 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.366 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' OD1' ' ND2' ' A' ' 107' ' ' ASN . 10.6 p-10 -116.68 -10.03 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.592 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.06 8.91 62.76 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -148.44 115.19 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.014 0.435 . . . . 0.0 110.368 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -72.15 141.49 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.543 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.5 p30 -120.67 -175.21 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.632 HD11 ' CG2' ' A' ' 133' ' ' ILE . 43.0 tp -83.05 -25.76 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.422 ' HB2' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -59.1 -17.29 25.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.506 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' HG12 ' A' ' 119' ' ' ILE . 3.8 mt-10 -104.22 -41.13 5.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -40.78 -44.31 2.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.632 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -62.79 -38.21 89.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.666 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 32.5 mm -53.08 -36.77 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.546 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.2 tpt -71.97 -57.69 4.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.547 HD13 HG12 ' A' ' 128' ' ' ILE . 18.3 mt -51.52 -69.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.428 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -44.78 -30.3 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.128 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 120' ' ' MET . . . -69.92 -36.76 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.381 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER -91.49 51.32 1.86 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.344 179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 65.15 17.4 63.56 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER 64.96 -70.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.436 . . . . 0.0 110.353 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.484 ' O ' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER 37.76 33.46 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.46 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 126' ' ' GLU . 0.9 OUTLIER -141.63 131.02 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.561 179.622 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.479 ' O ' ' CB ' ' A' ' 130' ' ' GLU . 2.2 t -104.95 46.59 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.7 tt0 79.5 -62.56 0.28 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.828 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.25 -55.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.866 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.523 ' HB3' HG12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -48.46 -22.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.067 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.632 ' CG2' HD11 ' A' ' 114' ' ' LEU . 3.2 mt -86.37 -69.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.033 0.444 . . . . 0.0 110.692 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -49.86 -25.03 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.589 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -87.8 -62.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.892 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 136' ' ' LEU . 3.3 tt -59.74 -39.35 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.982 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.554 ' HG3' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -62.89 -35.82 81.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.771 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 138' ' ' LYS . 13.4 ttpp -90.39 9.91 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.724 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 0.3 OUTLIER -88.11 -35.14 17.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.412 ' C ' ' O2 ' ' A' ' 1' ' ' EMD . . . -101.73 -0.2 52.5 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 2.4 t0 -93.56 45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.128 0.49 . . . . 0.0 110.449 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -49.64 -34.29 17.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.18 -18.46 65.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 46.7 60.31 3.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.412 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 7.6 p30 -117.96 -24.9 6.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 110.9 8.99 23.41 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.452 ' O ' ' OD1' ' A' ' 141' ' ' ASP . 5.5 ptp85 -155.7 -176.64 6.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.025 0.44 . . . . 0.0 110.384 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 153' ' ' PHE . 29.2 mm -116.8 135.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.468 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 22.7 t70 -116.47 158.4 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.565 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.714 ' O ' HD23 ' A' ' 154' ' ' LEU . 1.2 t80 -52.33 -27.94 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.663 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -78.24 -44.13 26.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.754 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 149' ' ' ASP . 16.1 mt-10 -68.51 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.212 0.53 . . . . 0.0 110.164 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 148' ' ' ILE . 2.2 t80 -41.96 -46.97 4.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.354 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 150' ' ' TYR . 0.5 OUTLIER -39.61 -42.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.741 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.19 -70.42 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.615 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -43.55 -65.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.488 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.731 ' SD ' HD22 ' A' ' 100' ' ' LEU . 1.3 tpt -90.81 67.97 6.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.558 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -80.68 56.59 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.453 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 92' ' ' LYS . . . 63.25 59.35 9.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 157' ' ' MET . 2.2 t -137.63 87.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.489 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.456 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.695 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 93' ' ' SER . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HB2' ' HA3' ' A' ' 159' ' ' GLY . 8.8 mttt -55.48 83.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.038 0.447 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -56.62 164.63 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.483 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.779 ' HG2' HD22 ' A' ' 154' ' ' LEU . 20.6 mt-10 -39.16 -46.78 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.529 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.46 -30.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.627 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -38.01 14.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.594 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.514 ' HA ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -46.66 -36.37 6.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -46.66 -30.84 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.846 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 41.5 m-20 -80.59 -55.51 4.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.987 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.97 HD13 ' SD ' ' A' ' 157' ' ' MET . 0.5 OUTLIER -46.4 -27.16 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 179.69 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -66.46 -56.93 8.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.044 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 103' ' ' MET . 0.1 OUTLIER -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.498 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.9 -36.35 83.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.507 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CZ ' ' CB ' ' A' ' 120' ' ' MET . 1.4 t80 -82.1 -35.04 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.956 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ALA . 2.9 t0 -73.18 117.32 14.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -16.76 10.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.411 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 108' ' ' ALA . 9.1 p30 -116.76 -45.63 2.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.276 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' OD1' ' A' ' 107' ' ' ASN . . . -102.67 -154.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -157.68 78.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.487 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.522 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 130.25 -4.0 5.93 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -143.48 127.35 17.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.116 0.484 . . . . 0.0 110.635 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.791 HD13 ' CE1' ' A' ' 153' ' ' PHE . 3.1 mt -112.74 142.49 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.198 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.404 ' OD1' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -124.63 159.96 29.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' HB2' ' HG3' ' A' ' 137' ' ' MET . 53.0 tp -43.02 -44.21 4.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.711 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 119' ' ' ILE . 7.5 mt-10 -50.55 -22.29 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.589 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 112' ' ' ILE . 19.1 mt-10 -101.41 -34.53 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.687 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.681 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -62.53 -54.12 44.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.68 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.7 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.796 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.99 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 2.7 mp -65.67 -33.45 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.555 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -80.84 10.59 4.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.108 -179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 124' ' ' THR . 82.9 mt -118.64 -86.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.212 0.53 . . . . 0.0 111.025 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -57.03 -32.88 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.289 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -69.28 -30.68 68.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 121' ' ' LEU . 7.6 t -90.9 25.47 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' O ' H263 ' A' ' 1' ' ' EMD . . . 49.69 39.3 30.9 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.763 ' OE1' HD12 ' A' ' 128' ' ' ILE . 6.2 pt-20 -61.18 -20.82 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.045 0.45 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 127' ' ' THR . 31.2 m 73.33 46.6 0.21 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.353 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.796 HD13 ' OD2' ' A' ' 132' ' ' ASP . 3.2 mt -150.77 176.42 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.687 ' H ' HG22 ' A' ' 128' ' ' ILE . 5.3 t -175.79 127.75 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' A' ' 133' ' ' ILE . 0.0 OUTLIER 67.18 -70.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.703 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 87.8 m-20 -36.51 -66.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.118 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.796 ' OD2' HD13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -68.38 -28.82 67.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.14 -179.332 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 130' ' ' GLU . 45.7 mm -50.95 -67.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 138' ' ' LYS . 12.8 mt-10 -68.75 -39.66 80.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.13 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.24 -55.71 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.015 HD11 ' C12' ' A' ' 1' ' ' EMD . 5.4 tt -55.91 -59.0 5.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.022 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.47 ' HG3' ' HB2' ' A' ' 114' ' ' LEU . 0.9 OUTLIER -55.21 -52.44 63.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.709 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 134' ' ' GLU . 2.8 ttpm? -52.72 -44.48 66.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.54 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.61 -59.45 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.676 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -57.8 -18.63 33.01 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 144' ' ' ASN . 39.8 t0 -93.1 42.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.077 0.465 . . . . 0.0 110.523 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -36.76 35.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.53 -7.23 58.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.739 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.402 ' HA ' ' CG ' ' A' ' 141' ' ' ASP . 1.1 t-20 46.26 69.65 0.45 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -126.82 -6.86 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 89.14 13.4 62.06 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 112' ' ' ILE . 2.5 ttp180 -158.63 -172.16 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.059 0.457 . . . . 0.0 110.366 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.709 HG21 ' HD1' ' A' ' 153' ' ' PHE . 18.8 mm -117.32 151.58 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.386 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' HG3' ' A' ' 152' ' ' GLU . 6.8 m-20 -116.73 -164.89 1.01 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.566 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.4 m-85 -84.39 -28.93 26.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.659 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.55 -32.58 42.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.423 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 149' ' ' ASP . 2.9 mt-10 -79.45 -43.26 23.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 112' ' ' ILE . 4.0 t80 -71.83 -25.59 62.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.533 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 94' ' ' GLU . 13.2 mt -75.8 -21.83 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.652 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.7 -63.97 1.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.71 51.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.97 ' SD ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 179.91 33.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.169 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' GLY . 32.0 mtmt -59.59 86.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.371 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 92' ' ' LYS . . . 37.7 61.26 1.12 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.7 t -91.09 100.1 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.098 0.475 . . . . 0.0 110.463 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 1.015 ' C12' HD11 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -91.27 -81.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.138 0.494 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.08 -161.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.592 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 4.6 mp0 -69.52 -13.6 62.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.17 -51.9 67.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.4 OUTLIER -82.23 -37.59 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.577 HD11 ' HA ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -48.44 -47.9 37.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.425 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -25.4 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.501 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -85.22 -52.56 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.608 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.78 HD11 ' HE3' ' A' ' 157' ' ' MET . 0.9 OUTLIER -42.73 -67.63 0.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.796 -179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' LEU . 7.8 t80 -38.05 -71.87 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.282 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -51.29 -51.27 55.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.3 0.571 . . . . 0.0 109.517 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 3.9 tpp -42.91 -40.33 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.73 46.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.96 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 102' ' ' ARG . 1.5 t0 -62.48 84.78 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.381 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -85.63 -0.85 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.32 0.62 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.197 0.522 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 22.2 p30 -157.08 -38.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.542 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 109.46 2.53 31.01 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 43.6 m-85 -146.78 96.43 2.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.043 0.449 . . . . 0.0 110.608 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.67 142.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -121.79 -168.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.813 HD11 ' CG2' ' A' ' 133' ' ' ILE . 20.1 tp -77.32 -10.7 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.652 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.663 ' O ' HD12 ' A' ' 119' ' ' ILE . 16.3 mt-10 -74.73 -53.68 8.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.36 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 120' ' ' MET . 5.1 mt-10 -57.76 -46.81 84.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.4 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.592 HD21 ' H13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -53.28 -73.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.754 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.759 ' HE2' HG21 ' A' ' 133' ' ' ILE . 3.4 mttt -38.93 -65.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.961 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 115' ' ' GLU . 21.4 mt -45.19 -48.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' A' ' 116' ' ' GLU . 2.4 tpt -55.65 -35.76 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.119 0.485 . . . . 0.0 110.208 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.9 HD22 HD13 ' A' ' 128' ' ' ILE . 45.7 mt -63.83 -67.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 119' ' ' ILE . 2.1 pt20 -57.78 -20.03 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.263 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.02 -31.81 30.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.184 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 121' ' ' LEU . 12.8 t -92.37 39.29 1.02 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.391 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 78.74 25.89 59.67 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 128' ' ' ILE . 1.6 pt-20 38.09 -94.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.672 0.272 . . . . 0.0 110.269 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 125' ' ' GLY . 10.1 t 34.93 44.04 0.12 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.071 0.462 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.9 HD13 HD22 ' A' ' 121' ' ' LEU . 11.2 mt -143.5 145.11 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.382 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.78 156.97 19.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.492 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.795 ' HA ' HD12 ' A' ' 133' ' ' ILE . 20.4 mt-10 -53.0 -34.03 54.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.637 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 6.3 m-20 -51.48 -46.84 63.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.813 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.436 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.3 OUTLIER -58.2 -16.52 14.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.166 -179.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.813 ' CG2' HD11 ' A' ' 114' ' ' LEU . 23.7 mt -88.01 -63.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.965 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.78 -36.85 56.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.394 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER -67.25 -57.16 7.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.147 0.498 . . . . 0.0 110.323 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.478 ' O ' ' OD2' ' A' ' 139' ' ' ASP . 1.0 OUTLIER -57.1 -51.67 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.425 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.66 ' SD ' HD13 ' A' ' 114' ' ' LEU . 9.8 ttm -46.83 -45.62 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.06 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -72.49 -14.54 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.417 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.478 ' OD2' ' O ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -77.78 -29.37 50.83 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.375 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -119.49 24.07 8.22 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 137' ' ' MET . 55.7 t0 -118.78 58.83 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -49.38 -22.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.789 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' CG ' ' OE2' ' A' ' 152' ' ' GLU . 88.5 m-20 -79.51 -30.63 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.107 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 141' ' ' ASP . 0.4 OUTLIER 62.08 43.62 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.51 -20.7 9.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 111.77 12.82 13.67 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -140.6 -173.47 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.536 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm -129.51 163.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.439 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -132.2 157.92 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.319 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.13 -37.05 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.446 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -72.04 -49.3 37.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.441 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 143' ' ' ASN . 48.7 mt-10 -64.69 -45.64 85.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.529 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 157' ' ' MET . 39.5 t80 -59.98 -37.77 80.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 97' ' ' LEU . 20.3 mt -64.35 -42.09 96.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.93 -77.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -50.25 -73.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.199 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.78 ' HE3' HD11 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -86.66 71.56 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.226 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -79.89 66.53 5.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.582 -179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 97' ' ' LEU . . . 55.68 69.34 1.3 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 161' ' ' GLU . 2.0 t -115.79 139.79 40.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.025 0.441 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 160' ' ' VAL . 4.6 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.592 ' H13' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -103.62 -75.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 110.544 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 174.58 152.19 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.397 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.98 -53.4 33.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.569 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -43.22 -40.38 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.05 -44.83 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD23 ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -54.88 -41.98 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -38.6 1.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.997 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.8 OUTLIER -76.17 -55.5 5.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.228 179.759 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.515 HD22 ' HE3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -44.09 -60.03 2.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 153' ' ' PHE . 23.6 t80 -42.04 -52.99 4.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.585 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.45 -43.69 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -52.51 -31.68 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.186 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' CD2' ' HE1' ' A' ' 157' ' ' MET . 2.6 t80 -78.76 -28.16 44.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.334 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 0.9 OUTLIER -78.44 68.0 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.629 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -82.44 6.56 16.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.57 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.8 t30 -129.52 -45.21 1.21 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.974 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.571 ' HB3' ' OD1' ' A' ' 105' ' ' ASP . . . -105.93 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 23.5 p-10 -157.48 57.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.429 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 169.13 -31.76 0.17 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 26.2 m-85 -143.25 136.91 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.112 0.482 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 mp -96.28 141.54 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.314 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p30 -121.78 -171.48 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.337 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' HG ' ' HD2' ' A' ' 118' ' ' LYS . 13.2 tp -71.19 -52.17 20.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.458 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -41.19 -33.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 107' ' ' ASN . 12.4 mt-10 -79.1 -47.86 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.612 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -47.3 -60.06 2.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.654 -179.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HD2' ' HG ' ' A' ' 114' ' ' LEU . 2.8 mtpm? -44.35 -60.16 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.473 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 89.0 mt -47.01 -50.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.152 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -48.66 -38.99 22.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.858 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 125' ' ' GLY . 19.5 mt -75.5 -71.2 0.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.552 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.551 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 34.6 mt-30 -42.2 -27.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.649 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.39 77.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.256 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -125.78 -43.91 1.83 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.354 -0.539 . . . . 0.0 111.317 -179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 121' ' ' LEU . . . -109.02 55.86 0.49 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 8.9 pt-20 -65.75 -14.65 61.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.973 0.416 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 127' ' ' THR . 87.4 m -85.85 47.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.261 0.553 . . . . 0.0 109.628 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.563 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 54.8 mt -125.39 146.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.484 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -74.82 177.31 6.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 133' ' ' ILE . 34.6 tt0 -78.12 -22.86 48.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.48 -20.14 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.207 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.563 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.1 OUTLIER -90.47 -11.77 39.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 130' ' ' GLU . 27.1 mt -87.93 -43.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.062 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -76.89 -56.43 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.242 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.57 -31.32 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.008 HD23 HD23 ' A' ' 117' ' ' LEU . 2.0 tp -60.18 -59.74 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.633 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -56.57 -41.0 76.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.452 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.26 -59.42 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.473 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -65.44 -52.2 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.482 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 148' ' ' ILE . . . -57.37 -27.39 58.01 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 144' ' ' ASN . 49.6 t0 -102.07 45.92 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.053 0.454 . . . . 0.0 110.497 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -33.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 145' ' ' ASP . 39.9 t30 -73.37 -37.86 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ASP . 8.7 t-20 67.63 69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.416 ' HB2' ' ND2' ' A' ' 143' ' ' ASN . 8.2 t0 -129.64 3.56 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.718 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.408 ' C ' ' HG2' ' A' ' 147' ' ' ARG . . . 99.81 9.51 49.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 146' ' ' GLY . 11.2 ptt85 -176.0 -172.5 0.51 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -121.55 158.13 24.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -127.15 170.07 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.128 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.74 -29.78 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.14 -52.4 55.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.488 ' HB2' HG23 ' A' ' 148' ' ' ILE . 14.9 mt-10 -73.59 -39.06 64.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.623 ' CE2' HD23 ' A' ' 97' ' ' LEU . 38.9 t80 -64.81 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.511 HD23 HD13 ' A' ' 97' ' ' LEU . 16.4 mt -66.76 -29.92 70.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.442 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -86.72 -70.04 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.675 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.576 ' CD1' ' N3 ' ' A' ' 1' ' ' EMD . 23.7 t80 -49.52 -71.59 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.733 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 12.0 tpp -75.8 62.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.413 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.441 ' HA ' HD11 ' A' ' 97' ' ' LEU . 5.7 mttt -78.83 66.01 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.474 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.89 3.84 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.82 -68.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.087 0.47 . . . . 0.0 110.269 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.406 179.823 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.886 ' C12' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 93' ' ' SER . 16.6 mtmm -106.65 -77.24 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.097 0.475 . . . . 0.0 110.627 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 2.2 p 176.55 144.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.516 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -51.99 -43.84 63.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.611 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.93 -54.66 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.404 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.87 -52.91 57.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.553 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' SER . 12.2 mt -42.22 -42.4 3.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.288 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.05 -47.26 5.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.083 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -51.24 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.819 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.003 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.59 -43.01 7.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.336 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 4.2 t80 -55.28 -57.1 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.363 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -65.44 -34.16 77.63 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -19.9 38.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.523 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.485 ' CE1' HG21 ' A' ' 112' ' ' ILE . 1.9 t80 -95.94 -52.03 4.22 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.981 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.458 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -58.27 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.669 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 116' ' ' GLU . 17.9 mmmt -77.86 1.21 21.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.529 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' HB3' ' OE2' ' A' ' 116' ' ' GLU . 8.3 t30 -116.89 -16.75 10.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.122 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.56 87.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' OD1' ' OD2' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -143.84 -39.03 0.3 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.427 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 123.33 -2.97 9.63 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 50.9 m-85 -144.2 127.69 16.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 112' ' ' ILE . 4.5 mm -75.48 137.17 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.05 142.88 47.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.465 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.018 HD11 HG22 ' A' ' 133' ' ' ILE . 3.0 tp -48.58 -27.08 2.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.524 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -70.14 -21.5 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.987 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 106' ' ' LYS . 7.0 mt-10 -93.79 -29.61 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.092 0.472 . . . . 0.0 110.464 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.3 OUTLIER -52.2 -58.41 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.503 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.693 ' HE2' HD13 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.443 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 40.7 mt -64.79 -45.65 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.455 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -12.92 54.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.462 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 128' ' ' ILE . 39.9 mt -106.99 -57.41 2.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 4.2 mp0 -55.21 -18.22 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.884 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.47 -33.12 19.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 121' ' ' LEU . 9.9 t -87.69 46.81 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.619 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 127' ' ' THR . . . 76.95 25.1 65.16 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.3 OUTLIER 39.15 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.776 0.322 . . . . 0.0 110.584 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 125' ' ' GLY . 14.2 t 35.03 34.53 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.729 HG21 HD13 ' A' ' 121' ' ' LEU . 10.0 mm -132.44 142.03 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -93.02 158.0 16.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.473 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.827 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -53.67 -40.9 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.658 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 86.7 m-20 -49.69 -33.07 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -69.37 -24.27 63.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.926 -179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 1.018 HG22 HD11 ' A' ' 114' ' ' LEU . 3.2 mt -88.01 -47.15 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.14 -48.09 14.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.461 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 31.6 tt0 -59.12 -43.24 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.547 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -72.87 -34.88 67.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.009 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -47.02 -40.17 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.815 -179.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -21.64 46.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.861 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 136' ' ' LEU . 5.6 m-20 -65.4 -20.14 66.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.97 11.91 8.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -109.78 52.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.371 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -64.11 -44.89 90.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.456 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -57.46 -17.42 13.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.502 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.465 ' O ' ' OD1' ' A' ' 144' ' ' ASN . 21.0 t-20 56.28 62.78 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.456 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 25.4 t70 -120.26 -22.71 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.734 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.55 43.52 3.39 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 5.9 ptp180 176.79 -170.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.072 0.463 . . . . 0.0 110.259 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 36.3 mm -119.36 138.6 49.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.67 167.54 14.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.59 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 154' ' ' LEU . 3.0 t80 -46.1 -67.74 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.394 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 6.1 m-20 -40.95 -65.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.457 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 156' ' ' PHE . 14.5 mt-10 -51.17 -46.63 62.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.566 ' CD1' ' SD ' ' A' ' 157' ' ' MET . 44.3 t80 -69.37 -15.79 63.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.771 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 150' ' ' TYR . 0.6 OUTLIER -76.67 -55.49 5.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.397 -179.459 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -76.19 -11.39 59.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.383 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 1.4 t80 -83.24 -36.16 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.147 0.499 . . . . 0.0 110.627 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.815 ' HB2' HG22 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -141.37 80.46 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.348 -179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.36 52.71 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.672 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' CD2' ' A' ' 97' ' ' LEU . . . 101.47 54.97 0.92 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.003 ' O ' HD11 ' A' ' 100' ' ' LEU . 10.9 m -117.83 145.56 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.305 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.495 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.559 ' N4 ' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.758 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.29 -156.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.09 0.472 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -154.24 168.07 27.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.445 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -31.38 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.237 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -38.14 69.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.412 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -33.53 22.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.369 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD2' ' HA2' ' A' ' 159' ' ' GLY . 11.9 mt -61.54 -43.19 99.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.283 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -47.82 -30.0 3.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -25.37 39.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.261 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -64.14 -32.92 74.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.187 179.79 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.513 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 1.7 t80 -72.47 -39.13 67.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -64.93 -51.02 64.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.493 -179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 10.1 ptm -52.5 -33.93 47.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.768 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.528 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -80.14 -58.91 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.522 -179.771 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -61.68 113.89 2.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.225 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HE2' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -113.11 7.26 17.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.739 -179.895 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -116.8 -12.89 10.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.245 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 68.24 59.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.489 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 57.0 p30 -118.89 -14.33 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.558 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.513 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 84.01 -9.17 64.02 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 18.2 m-85 -135.37 118.53 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.637 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 113' ' ' ASP . 1.9 mp -72.0 160.49 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.157 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' N ' ' CG2' ' A' ' 112' ' ' ILE . 0.2 OUTLIER -152.47 177.32 10.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.78 179.623 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.701 ' H ' HD12 ' A' ' 114' ' ' LEU . 5.3 mp -56.56 -49.47 74.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.368 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -44.49 -27.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 107' ' ' ASN . 48.3 mt-10 -97.62 -40.25 8.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.599 HD21 ' N4 ' ' A' ' 1' ' ' EMD . 0.0 OUTLIER -52.75 -72.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.673 -179.864 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' A' ' 133' ' ' ILE . 13.4 mtmt -35.98 -50.72 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.858 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 44.9 mt -57.77 -41.81 80.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.655 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -73.33 -2.63 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.896 -179.768 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.827 HD12 HG13 ' A' ' 133' ' ' ILE . 85.9 mt -117.91 -77.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.091 0.472 . . . . 0.0 111.04 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.533 ' N ' ' OE2' ' A' ' 126' ' ' GLU . 0.8 OUTLIER -57.34 -35.95 70.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.085 -179.194 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -77.21 -48.9 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.544 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 121' ' ' LEU . 14.6 t -56.6 -25.06 51.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.826 -179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 100.3 64.19 0.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.533 ' OE2' ' N ' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -110.88 -5.22 14.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.51 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 126' ' ' GLU . 1.0 OUTLIER 38.35 89.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 -179.856 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.785 HG22 ' N ' ' A' ' 129' ' ' THR . 17.4 mt -150.0 -93.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.785 ' N ' HG22 ' A' ' 128' ' ' ILE . 2.1 t 167.44 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.091 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.528 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.1 OUTLIER -87.78 17.41 4.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.559 ' H ' HG23 ' A' ' 129' ' ' THR . 0.3 OUTLIER -90.8 -66.76 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.658 -179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.6 OUTLIER -38.69 -36.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.712 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.827 HG13 HD12 ' A' ' 121' ' ' LEU . 2.2 mp -60.97 -77.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.826 -179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -53.25 -39.02 63.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 0.6 OUTLIER -59.19 -60.73 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.545 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.548 HD22 ' N4 ' ' A' ' 1' ' ' EMD . 0.8 OUTLIER -63.69 -26.7 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.56 -179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 147' ' ' ARG . 0.0 OUTLIER -53.66 -71.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -53.54 -29.91 39.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.742 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.26 -24.6 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 136' ' ' LEU . . . -119.5 41.37 1.99 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -156.23 75.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.492 . . . . 0.0 110.339 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -28.96 67.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.475 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.445 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 48.0 m-20 -59.44 -16.97 27.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 47.23 39.88 9.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.62 -1.31 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.76 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.81 45.81 7.04 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 11.9 ptp180 -171.64 178.8 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.094 0.473 . . . . 0.0 110.415 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.454 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 3.3 mm -124.95 148.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.608 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 111' ' ' TYR . 47.0 t0 -118.07 161.93 19.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.213 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.54 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 1.2 t80 -46.97 -56.42 6.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 1.2 t70 -57.91 -56.89 16.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.823 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 60.0 mt-10 -52.24 -42.2 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 109.792 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 157' ' ' MET . 6.9 t80 -60.96 -34.29 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.08 179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.54 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -60.62 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.746 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -66.31 0.41 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.739 -179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -67.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.395 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.527 ' SD ' HD22 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -76.63 64.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.284 179.888 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.77 55.48 2.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.567 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.534 ' HA2' ' CD2' ' A' ' 97' ' ' LEU . . . 77.44 65.24 1.95 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 160' ' ' VAL . 16.9 t -115.06 42.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.146 0.498 . . . . 0.0 110.207 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.705 ' O ' HD21 ' A' ' 100' ' ' LEU . 6.5 tt0 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.599 ' N4 ' HD21 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.55 -169.43 3.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.13 0.491 . . . . 0.0 110.501 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 96' ' ' GLU . 69.6 p -140.77 171.68 13.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.37 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -41.19 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.358 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.93 -36.76 28.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.1 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' SER . 1.1 mp0 -80.01 -43.34 22.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' CD2' ' CA ' ' A' ' 159' ' ' GLY . 11.4 mt -51.76 -48.5 63.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.099 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.7 p -46.55 -40.35 12.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.857 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 103' ' ' MET . 0.2 OUTLIER -72.31 -27.21 62.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.034 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.611 HD13 ' CG ' ' A' ' 157' ' ' MET . 0.6 OUTLIER -78.46 -53.27 7.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.026 179.711 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.733 ' CE1' HD12 ' A' ' 112' ' ' ILE . 6.5 t80 -61.43 -22.58 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.815 179.667 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 105' ' ' ASP . 11.6 ttm-85 -80.38 -63.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.362 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 100' ' ' LEU . 5.6 ptm -42.64 -34.57 0.91 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.708 ' CE1' HG21 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -65.62 -42.79 91.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 102' ' ' ARG . 10.1 m-20 -65.87 103.35 0.9 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -82.89 4.81 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.765 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -139.75 12.55 2.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.496 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 41.87 87.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 14.8 p-10 -141.87 -38.71 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.593 -179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 112.41 12.45 13.36 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.601 -0.999 . . . . 0.0 110.601 -179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.33 125.43 10.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.348 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.733 HD12 ' CE1' ' A' ' 101' ' ' PHE . 3.0 mt -98.8 142.71 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.217 179.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.559 ' O ' HD12 ' A' ' 117' ' ' LEU . 12.5 p-10 -123.62 -154.08 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.077 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.738 HD13 ' SD ' ' A' ' 137' ' ' MET . 10.6 tp -83.47 -52.71 6.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.559 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.24 -35.72 18.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.778 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 119' ' ' ILE . 36.4 mt-10 -84.26 -21.46 31.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.971 -179.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.602 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -69.94 -43.78 70.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.568 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 122' ' ' GLN . 22.0 mttt -57.07 -21.97 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.812 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.586 ' N ' HD13 ' A' ' 119' ' ' ILE . 2.6 mm -70.7 -50.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.533 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -24.47 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.734 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.529 ' CD1' HD13 ' A' ' 133' ' ' ILE . 19.0 mt -91.85 -60.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.451 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 118' ' ' LYS . 4.5 tt0 -55.33 -21.7 16.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.689 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -89.21 -13.18 38.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.3 p -102.3 59.53 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.627 ' O ' HG23 ' A' ' 127' ' ' THR . . . 76.42 1.13 69.24 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.462 ' CG ' ' C ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER 39.43 34.57 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.078 0.466 . . . . 0.0 110.348 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 125' ' ' GLY . 64.2 p -95.12 41.03 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.278 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 132' ' ' ASP . 2.2 mp -129.8 144.21 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.457 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 128' ' ' ILE . 34.5 p -90.79 -173.22 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.46 4.86 16.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.608 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.87 -19.1 29.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.485 ' HB2' HG23 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -105.71 5.45 31.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.732 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.529 HD13 ' CD1' ' A' ' 121' ' ' LEU . 25.2 mm -87.83 -64.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.646 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.16 -48.42 15.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.606 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -53.64 47.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.488 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.604 HD13 ' C12' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -62.17 -38.84 90.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.552 -179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.738 ' SD ' HD13 ' A' ' 114' ' ' LEU . 4.1 ttt -56.87 -69.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -10.01 31.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.694 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 136' ' ' LEU . 8.6 t0 -47.67 -25.92 1.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.232 0.539 . . . . 0.0 109.925 179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 141' ' ' ASP . . . -112.5 -91.21 1.96 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 144' ' ' ASN . 0.5 OUTLIER 33.18 48.02 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.122 0.486 . . . . 0.0 110.832 179.702 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.474 ' HB3' ' HG2' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -42.45 -27.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.773 -179.792 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 7.4 m-20 -93.08 -27.46 16.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.0 t30 67.24 59.11 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.162 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.76 -21.28 9.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 -179.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 128.58 -50.94 0.87 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -104.32 -168.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.232 0.539 . . . . 0.0 110.525 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.414 HD12 ' S1 ' ' A' ' 1' ' ' EMD . 4.5 mm -117.44 146.74 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.941 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -117.39 162.0 18.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.778 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -24.77 1.99 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.201 179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -67.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 62.1 mt-10 -50.79 -58.88 4.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.686 ' CG ' ' CD1' ' A' ' 101' ' ' PHE . 50.7 t80 -46.06 -35.41 4.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.398 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 154' ' ' LEU . 7.4 mt -71.47 -31.75 67.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 152' ' ' GLU . 0.9 OUTLIER -88.08 -39.01 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.515 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -78.45 -44.48 24.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.483 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.611 ' CG ' HD13 ' A' ' 100' ' ' LEU . 35.8 tpp -104.9 72.78 1.03 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 53.42 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.588 ' CA ' ' CD2' ' A' ' 97' ' ' LEU . . . 70.62 66.92 2.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.471 ' O ' HD11 ' A' ' 100' ' ' LEU . 3.3 t -100.45 144.53 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.481 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.43 179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.604 ' C12' HD13 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -84.21 169.11 15.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.062 0.458 . . . . 0.0 110.462 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.21 179.68 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.405 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -63.51 -18.42 63.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.39 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.09 -41.78 75.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 97' ' ' LEU . 53.2 mm-40 -76.45 -39.86 52.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.172 179.801 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.561 HD21 ' O ' ' A' ' 157' ' ' MET . 0.8 OUTLIER -35.33 -46.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.547 179.821 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -40.0 -43.82 1.62 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.992 179.822 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 103' ' ' MET . 7.3 m-20 -61.21 -51.65 68.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.818 179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 160' ' ' VAL . 1.2 mt -44.23 -65.03 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.332 179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 11.1 t80 -46.39 -38.19 8.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.346 179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -77.92 -26.41 48.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.454 0.645 . . . . 0.0 109.668 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -71.84 -19.13 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.878 179.549 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.557 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.5 OUTLIER -94.37 -43.44 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.106 179.927 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.88 109.97 4.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.529 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.673 ' HE2' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -114.45 14.39 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.023 179.561 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -117.47 -17.0 10.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.325 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 71.28 47.93 0.37 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.453 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.2 p-10 -118.56 -17.78 9.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.74 3.94 80.59 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -131.45 90.68 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 148' ' ' ILE . 3.0 mt -58.49 137.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.34 0.591 . . . . 0.0 109.936 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.528 ' HA ' ' HE1' ' A' ' 137' ' ' MET . 0.0 OUTLIER -124.98 -168.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.879 179.7 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 133' ' ' ILE . 7.6 mt -74.69 -21.38 59.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 119' ' ' ILE . 12.1 mt-10 -65.07 -32.25 73.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' OE2' ' OD2' ' A' ' 113' ' ' ASP . 4.3 mt-10 -93.48 -25.35 17.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.632 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.855 HD21 HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.98 -53.91 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.395 -179.901 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 114' ' ' LEU . 28.2 mttm -43.23 -36.85 1.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.173 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.919 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 6.3 mt -73.07 -43.83 57.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.662 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.563 ' C ' HG22 ' A' ' 124' ' ' THR . 0.0 OUTLIER -75.47 -1.1 22.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.903 -179.788 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.814 HD11 HD23 ' A' ' 117' ' ' LEU . 70.2 mt -116.2 -70.96 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.16 0.505 . . . . 0.0 110.05 179.658 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 7.4 mm-40 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -166.67 -37.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.402 179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 120' ' ' MET . 9.4 t -99.72 24.12 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.167 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 156.42 -32.45 0.59 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 36.81 34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.706 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 125' ' ' GLY . 3.0 m -99.95 29.45 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.783 179.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.551 ' C ' HG22 ' A' ' 129' ' ' THR . 69.1 mt -120.02 -93.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.704 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 128' ' ' ILE . 0.5 OUTLIER 164.22 173.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.167 0.508 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 129' ' ' THR . 2.4 tp10 -77.94 -31.83 51.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.375 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.73 -46.23 89.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.172 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -55.19 -31.81 61.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.666 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.675 ' O ' HD21 ' A' ' 114' ' ' LEU . 43.5 mm -56.39 -56.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.386 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -79.24 -27.84 42.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.057 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -78.28 -57.91 3.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.062 0.458 . . . . 0.0 110.669 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.855 HD22 HD21 ' A' ' 117' ' ' LEU . 1.9 tt -44.4 -55.33 5.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.379 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' A' ' 113' ' ' ASP . 4.4 tpt -46.3 -60.35 2.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -46.09 -65.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -53.02 -40.69 64.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.427 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -81.94 -0.49 89.55 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -179.676 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' MET . 50.1 t0 -122.62 57.62 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.001 0.429 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -38.51 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.329 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 144' ' ' ASN . 82.1 m-20 -50.6 -48.56 57.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.366 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 143' ' ' ASN . 5.9 t-20 82.55 58.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.516 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.441 ' OD2' ' HG3' ' A' ' 147' ' ' ARG . 31.7 p-10 -119.39 -25.09 6.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.19 13.5 9.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.441 ' HG3' ' OD2' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -158.66 -166.98 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.129 -179.921 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.478 ' HB ' ' HB ' ' A' ' 112' ' ' ILE . 38.9 mm -116.11 144.59 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.149 0.5 . . . . 0.0 110.488 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -116.95 -177.4 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.511 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.811 ' CE1' HD23 ' A' ' 154' ' ' LEU . 14.4 t80 -73.0 -43.01 62.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -47.97 81.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.458 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.459 ' OE2' ' CB ' ' A' ' 143' ' ' ASN . 87.8 mt-10 -67.55 -36.01 80.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 157' ' ' MET . 18.9 t80 -73.94 -33.59 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.252 179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.811 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -70.23 -16.24 63.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.626 -179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.14 -79.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -37.49 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.438 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -107.95 64.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -79.47 63.49 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.551 ' N ' HD11 ' A' ' 97' ' ' LEU . . . 69.13 64.64 2.91 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 100' ' ' LEU . 15.0 t -111.07 125.72 68.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.808 ' H13' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE3' ' HG3' ' A' ' 96' ' ' GLU . 11.5 mtpp 56.3 84.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 0.0 110.393 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -169.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.465 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' HG3' HD22 ' A' ' 154' ' ' LEU . 1.5 mp0 -59.17 -37.17 76.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -43.91 -34.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.554 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.419 ' HG3' ' HE3' ' A' ' 92' ' ' LYS . 6.6 mm-40 -89.61 -49.47 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.559 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HA2' ' A' ' 159' ' ' GLY . 17.5 mt -45.44 -34.16 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.647 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.446 ' HA ' ' OH ' ' A' ' 150' ' ' TYR . 48.5 p -48.27 -42.21 29.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.413 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -30.75 62.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' SD ' ' A' ' 103' ' ' MET . 5.3 mt -61.69 -40.13 93.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.265 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' ' O ' ' A' ' 110' ' ' GLY . 6.0 t80 -66.91 -32.17 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -61.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.231 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.538 ' HG3' ' N ' ' A' ' 104' ' ' PHE . 13.6 ptp -45.87 -34.21 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.108 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.538 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.1 OUTLIER -77.68 -58.14 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.504 -179.9 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.34 110.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -112.74 22.07 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.538 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.635 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.7 t30 -118.36 -26.13 6.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.377 179.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 77.61 41.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.568 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 14.2 p-10 -120.6 -29.42 4.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.579 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.535 ' O ' ' CZ ' ' A' ' 101' ' ' PHE . . . 111.75 3.42 26.84 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -136.16 139.47 42.9 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.073 0.463 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -97.1 145.01 9.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -126.55 175.92 7.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -59.66 -51.68 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.291 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -48.89 -57.03 7.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.037 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' HA ' HG12 ' A' ' 119' ' ' ILE . 28.1 mt-10 -64.39 -27.45 69.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.081 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -64.7 -55.26 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.166 179.704 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 133' ' ' ILE . 11.3 mttt -48.31 -28.69 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.154 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' A' ' 116' ' ' GLU . 21.2 mm -53.75 -66.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.265 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -43.94 -32.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.538 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 128' ' ' ILE . 9.9 mt -80.79 -43.26 20.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.218 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -65.2 -11.1 37.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.371 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -23.85 17.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 121' ' ' LEU . 2.8 t -101.25 63.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.582 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 126' ' ' GLU . . . 69.53 6.07 53.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER 39.0 85.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 0.0 110.12 -179.892 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.687 ' C ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -124.18 45.22 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.347 179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.3 mp -145.71 160.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.216 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 128' ' ' ILE . 3.1 t -157.13 72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.648 -179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.57 18.71 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.675 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 135' ' ' GLU . 2.3 m-20 -113.81 -30.41 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.601 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.518 ' CB ' HG12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -100.77 -14.65 17.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.616 -179.922 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 118' ' ' LYS . 3.1 mt -81.82 -63.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.435 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.97 -20.39 66.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.254 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 131' ' ' ASP . 5.8 tp10 -77.05 -54.53 6.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.236 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.554 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -66.59 -48.02 70.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.286 179.814 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 141' ' ' ASP . 24.9 ttm -56.52 -35.06 67.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 0.1 OUTLIER -45.23 -65.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.246 179.838 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.57 -27.92 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.479 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -83.14 -1.77 90.52 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 137' ' ' MET . 0.5 OUTLIER -106.71 50.47 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.143 0.497 . . . . 0.0 110.362 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -45.87 91.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.668 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.534 ' OD1' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -51.69 -32.79 31.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 72.21 53.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.037 179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.534 ' CB ' ' OD1' ' A' ' 143' ' ' ASN . 35.0 t0 -120.93 -19.39 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.729 179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 106.5 -18.41 38.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.413 ' NE ' ' OD2' ' A' ' 145' ' ' ASP . 6.6 ptt180 -122.68 -174.0 2.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.155 0.502 . . . . 0.0 110.753 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.621 HG21 ' S1 ' ' A' ' 1' ' ' EMD . 7.4 mm -116.86 142.17 31.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.222 179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.415 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 38.2 p30 -125.72 173.77 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.27 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -53.22 -35.23 59.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.439 -179.883 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -62.19 -60.31 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 30.2 mt-10 -64.51 -39.01 92.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.142 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 101' ' ' PHE . 19.7 t80 -66.59 -37.26 84.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.479 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 94' ' ' GLU . 41.2 mt -75.29 -33.82 61.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.64 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.96 -33.99 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.468 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 6.6 t80 -82.13 -34.38 29.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.108 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 153' ' ' PHE . 19.1 mmm -100.19 65.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -72.59 57.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.517 ' HA2' HD21 ' A' ' 97' ' ' LEU . . . 82.12 58.85 2.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.446 ' HB ' HD21 ' A' ' 100' ' ' LEU . 86.3 t -49.57 123.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.041 0.448 . . . . 0.0 110.373 179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.3 179.891 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.621 ' S1 ' HG21 ' A' ' 148' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -99.57 -170.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.48 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.04 165.24 36.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.499 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -50.24 -35.25 26.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -54.04 -46.85 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 99' ' ' ASP . 0.1 OUTLIER -63.98 -46.85 82.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.84 -179.638 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -39.61 -57.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.347 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.8 m -41.24 -42.38 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.101 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.515 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 24.6 m-20 -69.03 -50.5 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.111 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD22 ' HG2' ' A' ' 157' ' ' MET . 0.3 OUTLIER -42.71 -53.64 4.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.316 179.813 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.69 -61.17 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 9.9 ptp180 -62.26 -27.81 69.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.442 0.639 . . . . 0.0 109.5 179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 99' ' ' ASP . 2.5 ttm -68.72 -30.15 68.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.93 179.538 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.567 ' CE1' ' SD ' ' A' ' 120' ' ' MET . 0.2 OUTLIER -91.06 -52.83 4.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.132 179.716 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 14.6 t0 -72.73 94.39 1.76 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.507 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 30.84 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.996 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 18.3 t30 -116.49 -18.32 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.309 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 73.57 46.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' A' ' 111' ' ' TYR . 10.2 p-10 -122.24 -30.15 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.601 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.7 17.88 43.16 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.714 -0.955 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' N ' ' OD2' ' A' ' 105' ' ' ASP . 97.3 m-85 -151.97 101.0 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.996 0.427 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.0 139.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.212 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.5 p30 -126.02 151.68 46.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.424 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -42.76 -44.75 4.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.328 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 119' ' ' ILE . 79.3 mt-10 -51.72 -39.92 59.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.016 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 107' ' ' ASN . 34.2 mt-10 -77.06 -28.06 54.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.068 179.7 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 137' ' ' MET . 0.0 OUTLIER -61.95 -69.11 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.221 179.773 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 114' ' ' LEU . 7.3 mttm -39.18 -51.69 1.94 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.187 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 116' ' ' GLU . 90.3 mt -49.26 -39.91 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.567 ' SD ' ' CE1' ' A' ' 104' ' ' PHE . 0.1 OUTLIER -69.98 -28.63 65.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.271 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.9 mt -86.75 -51.05 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.303 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 5.5 mt-30 -53.98 -38.49 65.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.012 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.94 -27.73 69.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.361 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.528 HG21 ' C23' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -94.45 65.62 3.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 57.38 17.13 24.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 5.1 pt-20 37.08 33.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.128 0.49 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 127' ' ' THR . 8.5 t -79.77 56.67 2.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.52 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 127' ' ' THR . 29.3 mm -153.5 150.68 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 133' ' ' ILE . 5.8 t -124.12 -168.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.056 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 129' ' ' THR . 7.4 mp0 -68.38 60.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -139.99 -52.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 136' ' ' LEU . 1.3 m-20 -86.35 -3.76 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' MET . 6.1 mt -88.42 -49.44 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.693 -179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 138' ' ' LYS . 7.7 mt-10 -79.06 -51.09 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.941 -179.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 139' ' ' ASP . 14.1 mt-10 -67.45 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.053 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.814 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.7 OUTLIER -42.41 -30.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.996 -179.476 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.685 ' HG3' HD13 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -90.73 -64.42 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.644 -179.786 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 134' ' ' GLU . 2.0 ttpt -53.59 -19.31 3.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 -179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 135' ' ' GLU . 31.0 t70 -78.66 -2.5 39.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.744 -179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.474 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -131.73 31.39 3.09 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' ASN . 5.4 t0 -116.89 53.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.065 0.46 . . . . 0.0 110.438 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.2 -43.02 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.106 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 79.1 m-20 -65.04 -11.01 34.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 143' ' ' ASN . 3.2 p30 42.7 57.26 3.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.732 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.47 -19.64 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.569 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.33 39.45 2.61 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -177.87 -172.17 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.023 0.439 . . . . 0.0 110.365 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.1 mm -117.74 143.86 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.671 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 150' ' ' TYR . 9.7 t70 -122.28 154.81 37.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.304 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 149' ' ' ASP . 3.1 t80 -38.61 -58.81 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.2 OUTLIER -46.25 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.291 179.896 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -50.14 -52.14 37.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.942 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 100' ' ' LEU . 15.8 t80 -54.34 -30.05 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.23 179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.784 HD22 HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -62.9 -52.39 63.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.812 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 158' ' ' LYS . 2.8 mt-10 -73.71 -58.99 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.865 -179.58 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -53.76 -46.13 70.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.713 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.581 ' HE1' H171 ' A' ' 1' ' ' EMD . 45.4 tpp -117.03 71.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.624 -179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -76.62 75.17 3.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.357 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 48.3 65.77 2.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.5 t -127.87 145.42 35.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.146 0.498 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.362 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.814 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 163.72 14.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.44 179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.27 168.09 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mp0 -46.18 -32.33 2.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -57.62 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.033 HD13 ' CD2' ' A' ' 154' ' ' LEU . 1.8 mt -47.53 -41.58 21.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.202 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -44.58 -34.81 2.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.045 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.71 -46.78 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.199 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.599 HD11 ' O ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -44.99 -49.4 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 179.831 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.67 -51.04 61.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.54 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.64 -48.52 47.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.277 0.561 . . . . 0.0 109.654 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -43.01 -30.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.676 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.07 -46.31 7.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.712 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 1.9 t0 -79.52 114.16 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.144 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.99 29.93 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.81 -179.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 51.6 p30 -116.66 -11.66 10.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.473 179.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 69.58 55.91 0.36 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.92 179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 40.4 p-10 -126.74 -29.94 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 94.18 14.31 51.8 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.816 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.7 m-85 -157.21 109.55 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.986 0.422 . . . . 0.0 110.591 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.855 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.5 mt -58.6 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.934 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 115' ' ' GLU . 0.2 OUTLIER -132.89 159.59 39.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.277 0.56 . . . . 0.0 110.946 -179.558 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.517 HD11 ' CG2' ' A' ' 133' ' ' ILE . 24.4 tp -50.72 -27.92 8.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.438 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 1.3 mt-10 -60.54 -44.3 96.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 105' ' ' ASP . 14.6 mt-10 -77.13 -26.9 53.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.557 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -57.93 -66.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.421 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HE2' HG21 ' A' ' 133' ' ' ILE . 50.3 mttt -43.38 -43.96 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.171 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 29.2 mt -56.89 -40.67 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.82 ' O ' HG23 ' A' ' 124' ' ' THR . 7.7 tpt -62.86 -46.08 89.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.479 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 133' ' ' ILE . 13.0 mt -60.42 -62.24 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 1.9 mm-40 -52.56 -31.98 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.093 179.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.92 -55.91 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.301 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 120' ' ' MET . 48.7 p -47.24 -79.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 126' ' ' GLU . . . -140.24 12.21 3.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 20.6 pt-20 39.08 -161.61 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.199 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 127' ' ' THR . 47.6 m 52.47 59.86 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.472 . . . . 0.0 110.023 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CG2' ' HB2' ' A' ' 132' ' ' ASP . 25.9 mm -125.16 142.95 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.631 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -80.65 160.95 24.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.478 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.67 -18.02 64.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 135' ' ' GLU . 0.4 OUTLIER -69.7 -6.58 32.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.647 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 15.3 m-20 -112.01 -20.08 12.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 121' ' ' LEU . 56.6 mt -87.73 -59.44 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.312 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -44.72 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -59.25 -68.19 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.346 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.916 HD22 ' C13' ' A' ' 1' ' ' EMD . 0.5 OUTLIER -52.02 -27.69 14.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.468 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 9.2 tpt -73.24 -34.73 66.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.167 179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -79.19 -48.0 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.386 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -16.41 16.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -104.58 26.5 22.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 144' ' ' ASN . 2.8 t0 -140.67 56.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.088 0.471 . . . . 0.0 110.386 179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 141' ' ' ASP . 2.8 ttmt -39.64 -54.2 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.52 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 10.6 p30 -68.64 -33.93 74.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.387 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 141' ' ' ASP . 2.6 t30 65.11 68.41 0.5 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 146' ' ' GLY . 32.0 p30 -116.12 -25.3 7.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.33 179.908 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 145' ' ' ASP . . . 119.1 45.05 0.46 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 146' ' ' GLY . 3.2 ptt180 169.35 179.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.154 0.502 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.516 HG21 ' HD2' ' A' ' 153' ' ' PHE . 4.3 mm -119.52 147.44 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.166 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' N ' ' OE1' ' A' ' 152' ' ' GLU . 4.7 m-20 -124.0 150.8 44.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 110.744 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -43.28 -31.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.633 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -71.3 -51.78 22.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.52 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 1.9 mt-10 -74.06 -36.81 64.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 -179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.855 ' CE2' HD13 ' A' ' 112' ' ' ILE . 10.2 t80 -65.35 -31.11 72.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.154 0.502 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.033 ' CD2' HD13 ' A' ' 97' ' ' LEU . 9.7 mt -71.66 -40.6 69.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.275 179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -68.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -52.85 63.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.19 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.789 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.56 72.34 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.175 179.779 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.486 ' C ' HD11 ' A' ' 97' ' ' LEU . 3.9 ttmm -86.27 18.53 3.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 132.83 63.42 0.08 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.599 ' O ' HD11 ' A' ' 100' ' ' LEU . 4.7 t -114.08 106.9 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.428 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.416 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.916 ' C13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -129.91 151.11 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.012 0.434 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -170.44 -155.5 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.467 -179.861 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -33.74 -33.35 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.901 -179.894 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 93' ' ' SER . 4.5 tp10 -61.15 -61.65 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.418 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -26.31 30.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.266 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.652 HD21 ' CA ' ' A' ' 159' ' ' GLY . 0.8 OUTLIER -40.83 -53.72 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.465 179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.5 p -44.04 -51.44 7.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 103' ' ' MET . 28.6 m-20 -59.17 -43.08 92.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -52.13 -45.39 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.292 179.828 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 101' ' ' PHE . 7.2 t80 -72.31 -35.84 68.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -70.73 -60.89 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.205 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 99' ' ' ASP . 2.1 ppp? -42.7 -32.12 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.076 179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.47 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -38.83 79.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.383 179.835 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' ARG . 29.7 m-20 -65.17 122.39 16.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.242 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -105.37 -5.99 19.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.67 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 109' ' ' ASP . 0.3 OUTLIER -127.22 -2.07 6.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.729 -179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 58.3 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.118 0.485 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 109' ' ' ASP . 1.4 p30 -157.03 -40.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 111' ' ' TYR . . . 118.32 10.46 8.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 147' ' ' ARG . 48.7 m-85 -148.32 145.95 28.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.459 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 104' ' ' PHE . 1.6 mp -105.41 130.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.091 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.68 167.77 11.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.133 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -46.25 -56.49 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -50.04 3.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.271 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.83 -50.23 73.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.674 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.1 OUTLIER -45.81 -55.05 7.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.374 179.78 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 121' ' ' LEU . 15.5 mtmt -46.38 -58.7 3.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.344 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.63 -40.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -19.31 62.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.099 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.789 HD12 HG12 ' A' ' 133' ' ' ILE . 61.4 mt -101.09 -50.77 3.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.225 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 3.1 mt-30 -63.29 -13.59 40.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.686 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -95.71 -26.72 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.1 p -87.88 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.59 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' A' ' 126' ' ' GLU . . . 92.59 -0.7 71.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 37.99 78.98 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.037 0.446 . . . . 0.0 110.2 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.18 30.71 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.508 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.633 HD13 HD22 ' A' ' 121' ' ' LEU . 6.5 mt -134.61 145.94 31.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.181 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 131' ' ' ASP . 15.1 t -108.63 -174.88 2.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.721 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.6 mt-10 -66.09 69.85 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.683 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 129' ' ' THR . 8.8 m-20 -150.08 -58.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.22 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.2 OUTLIER -72.93 -10.64 60.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.528 179.864 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.789 HG12 HD12 ' A' ' 121' ' ' LEU . 7.2 mt -84.11 -69.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.518 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.63 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.56 -70.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.561 ' CD2' ' N4 ' ' A' ' 1' ' ' EMD . 3.9 tt -46.4 -48.99 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.647 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.448 ' CE ' ' HG ' ' A' ' 114' ' ' LEU . 1.6 ttt -52.38 -31.81 35.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -79.25 4.84 13.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.061 -179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.413 ' OD1' ' CE1' ' A' ' 156' ' ' PHE . 8.4 t70 -86.03 -45.55 11.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.996 0.427 . . . . 0.0 110.399 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.502 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -115.18 49.46 0.85 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 144' ' ' ASN . 46.1 t0 -130.42 44.83 2.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.041 0.448 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' ASP . 15.8 mmtm -39.63 -39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.369 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 1.3 t-20 -50.54 -35.12 28.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.425 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ASP . 56.1 t30 70.39 52.1 0.35 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.421 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -150.21 28.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 141' ' ' ASP . . . 49.26 55.13 13.17 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.511 ' HD3' ' CD2' ' A' ' 111' ' ' TYR . 24.5 ttm180 -163.8 157.88 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.177 0.513 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 147' ' ' ARG . 1.0 OUTLIER -127.32 144.99 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.27 179.888 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -124.4 164.19 20.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 154' ' ' LEU . 1.0 OUTLIER -42.46 -36.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.624 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.88 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.647 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.443 ' OE2' ' HB2' ' A' ' 143' ' ' ASN . 97.2 mt-10 -58.51 -37.08 74.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.529 -179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.409 ' HE2' ' CD2' ' A' ' 104' ' ' PHE . 14.3 t80 -71.7 -36.85 70.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.501 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 150' ' ' TYR . 13.5 mt -67.58 -17.14 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.75 -78.8 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.498 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CE1' ' OD1' ' A' ' 139' ' ' ASP . 11.1 t80 -50.61 -34.91 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.639 -179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.561 ' O ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -101.28 61.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.558 -179.827 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -75.12 58.61 0.91 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.282 179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.652 ' CA ' HD21 ' A' ' 97' ' ' LEU . . . 66.94 66.38 2.39 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.6 t -79.39 -65.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' H ' HD11 ' A' ' 100' ' ' LEU . 3.7 tm-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.359 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.674 ' H73' HD11 ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' GLU . 0.7 OUTLIER 64.7 -154.38 0.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.984 0.421 . . . . 0.0 110.492 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 97' ' ' LEU . 28.2 m 63.72 -165.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 53.0 tt0 -36.01 -31.43 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' SER . 7.5 tt0 -58.88 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 99' ' ' ASP . 30.0 mt-10 -87.55 -11.55 48.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.883 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 157' ' ' MET . 0.7 OUTLIER -40.06 -38.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.067 179.81 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.4 p -50.57 -38.87 47.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.106 179.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 96' ' ' GLU . 2.8 m-20 -70.01 -55.27 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.445 HD11 ' O ' ' A' ' 160' ' ' VAL . 2.2 mt -45.37 -58.07 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.954 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LEU . 4.8 t80 -38.26 -55.57 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.256 179.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -72.79 -39.86 66.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.058 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -25.99 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.106 179.763 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 120' ' ' MET . 8.9 t80 -103.2 -38.56 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.226 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 111' ' ' TYR . 3.1 t0 -70.86 84.84 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.521 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -97.68 36.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.43 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.631 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 40.0 t30 -117.38 -22.66 8.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 78.62 33.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.384 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 109' ' ' ASP . 18.5 p-10 -116.82 -20.9 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.31 179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 111' ' ' TYR . . . 82.3 21.0 61.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 63.9 m-85 -152.38 106.5 3.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.617 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 153' ' ' PHE . 2.5 mp -65.5 143.33 15.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.986 179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -129.02 150.79 50.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.646 -179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 5.5 tp -40.4 -32.44 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.054 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 119' ' ' ILE . 2.8 mm-40 -58.69 -65.23 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -60.99 -19.83 61.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.193 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.101 HD22 HD23 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -74.96 -60.64 2.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.504 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 1.3 ptpt -55.65 -22.02 20.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.988 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mt -73.39 -37.69 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -79.25 3.24 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.726 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.68 HD11 HD22 ' A' ' 136' ' ' LEU . 30.3 mt -106.56 -73.43 0.69 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.135 0.493 . . . . 0.0 110.63 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -82.27 -30.21 30.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.535 -179.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.988 ' HB3' ' O ' ' A' ' 119' ' ' ILE . . . -79.1 -34.76 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.277 -179.136 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 125' ' ' GLY . 6.0 t -65.86 -39.81 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.667 -179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 124' ' ' THR . . . 136.46 48.29 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -179.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 2.1 tp10 -132.66 119.66 20.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 90.0 m -88.38 84.87 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.943 179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 129' ' ' THR . 77.1 mt -119.27 162.8 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.533 -179.531 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -66.28 179.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.207 179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.849 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -83.67 -27.87 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.53 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -62.05 -49.37 76.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.48 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.542 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 0.9 OUTLIER -54.76 -19.72 6.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 130' ' ' GLU . 32.1 mt -84.43 -67.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.492 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -47.83 83.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.534 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -16.44 38.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.465 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.101 HD23 HD22 ' A' ' 117' ' ' LEU . 2.5 tp -67.71 -67.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.689 -179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.938 ' HG2' HD11 ' A' ' 148' ' ' ILE . 2.1 tmm? -66.79 -40.07 88.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.583 -179.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -48.16 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.449 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.3 -24.66 54.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.411 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.478 ' HA3' ' O2 ' ' A' ' 1' ' ' EMD . . . -86.59 -11.71 70.85 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 137' ' ' MET . 4.8 t0 -90.01 43.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.111 0.481 . . . . 0.0 110.471 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -50.24 -22.11 1.62 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.496 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 51.2 m-20 -93.45 -27.49 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.758 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 143' ' ' ASN . 82.6 m-20 65.76 62.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.719 179.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -123.41 10.12 9.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.09 13.51 83.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -156.64 -169.77 3.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.938 HD11 ' HG2' ' A' ' 137' ' ' MET . 8.4 mm -116.95 146.69 21.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.769 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' TYR . 2.2 m-20 -121.82 156.57 32.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.259 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -37.45 -55.37 1.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.46 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -51.22 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.629 -179.895 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 67.8 mt-10 -54.41 -60.46 3.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 157' ' ' MET . 35.3 t80 -49.89 -45.42 50.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.577 HD23 ' HG ' ' A' ' 97' ' ' LEU . 7.9 mt -59.59 -55.38 35.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.379 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.81 -65.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.503 ' CD2' ' N3 ' ' A' ' 1' ' ' EMD . 1.5 t80 -63.06 -61.17 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.623 -179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.999 ' O ' HD11 ' A' ' 97' ' ' LEU . 64.1 mmm -87.55 63.27 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.736 -179.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 64.7 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.128 179.794 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.793 ' N ' HD21 ' A' ' 97' ' ' LEU . . . 78.69 61.06 2.49 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.48 ' CG2' ' SD ' ' A' ' 157' ' ' MET . 15.7 m -125.72 130.21 72.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.06 0.457 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.352 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.953 ' C13' HD21 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 52.5 mtpt 53.64 -179.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.103 0.477 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 p -158.52 169.25 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -39.5 -31.55 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.607 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -55.57 -38.68 69.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.41 -34.39 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.949 -179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 157' ' ' MET . 1.2 mt -53.83 -47.9 70.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' LEU . 56.9 p -39.77 -42.21 1.23 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.87 179.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 103' ' ' MET . 96.5 m-20 -68.56 -53.83 20.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.709 179.443 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 103' ' ' MET . 6.3 mt -47.19 -32.65 4.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.505 179.238 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -72.42 -43.93 63.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.639 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 105' ' ' ASP . 67.1 ttt180 -67.58 -58.17 5.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.484 -179.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 100' ' ' LEU . 9.0 ptm -45.34 -33.1 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' N ' ' HG3' ' A' ' 103' ' ' MET . 0.2 OUTLIER -70.94 -42.02 70.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.053 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 t0 -69.5 105.91 2.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.927 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -79.86 -10.57 59.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.015 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.509 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 7.7 p30 -119.31 -19.73 8.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.056 0.455 . . . . 0.0 110.806 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 70.02 72.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.164 -179.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 110' ' ' GLY . 18.4 p30 -116.73 -23.15 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.436 -179.836 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 109' ' ' ASP . . . 109.41 -1.12 30.94 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 110' ' ' GLY . 53.9 m-85 -149.54 138.2 20.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.08 0.467 . . . . 0.0 110.61 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 116' ' ' GLU . 2.6 mt -100.92 142.67 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.18 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 116' ' ' GLU . 51.1 p-10 -133.27 167.76 19.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.027 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 118' ' ' LYS . 4.3 mt -45.52 -39.9 7.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.516 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -31.06 55.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HB2' HG23 ' A' ' 112' ' ' ILE . 16.6 mt-10 -87.03 -22.27 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD11 ' H73' ' A' ' 1' ' ' EMD . 0.2 OUTLIER -69.15 -69.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.332 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' A' ' 114' ' ' LEU . 6.8 mtmt -39.86 -52.14 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.673 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 119' ' ' ILE . 32.2 mt -45.38 -61.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.439 ' HE3' H172 ' A' ' 1' ' ' EMD . 3.1 ttt -42.54 -49.63 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.786 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 124' ' ' THR . 10.4 mt -61.46 -71.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.832 -179.663 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 23.9 mt-30 -40.09 -28.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.046 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.01 23.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 125' ' ' GLY . 2.1 p -124.73 -61.85 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.685 -179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.511 ' N ' ' OG1' ' A' ' 124' ' ' THR . . . -88.18 42.08 3.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -49.7 -38.43 33.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.049 0.452 . . . . 0.0 110.508 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.29 65.96 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 129' ' ' THR . 11.0 mm -146.79 156.17 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.247 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 130' ' ' GLU . 14.9 t -107.22 -154.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.486 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 129' ' ' THR . 1.3 mt-10 -93.14 34.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 135' ' ' GLU . 2.2 m-20 -111.47 -46.59 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.319 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 136' ' ' LEU . 0.5 OUTLIER -74.06 -8.7 57.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.565 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 137' ' ' MET . 61.1 mt -87.23 -66.01 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.61 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -45.24 72.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.768 -179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 131' ' ' ASP . 24.1 tp10 -62.16 -65.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.426 -179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.749 HD22 ' H13' ' A' ' 1' ' ' EMD . 1.4 tt -50.81 -29.78 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.425 ' CB ' ' O ' ' A' ' 133' ' ' ILE . 2.3 tpt -78.29 -30.73 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.9 95.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.203 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.03 -21.88 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.511 ' CA ' ' O2 ' ' A' ' 1' ' ' EMD . . . -80.74 -9.32 86.5 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 147' ' ' ARG . 0.2 OUTLIER -121.31 56.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.013 0.435 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' ASP . 0.0 OUTLIER -39.41 -63.31 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.499 -179.876 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.507 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 141' ' ' ASP . 15.9 t-20 63.09 79.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.516 ' OD2' ' NH1' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -123.9 18.73 9.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.523 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 61.83 26.68 67.36 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.516 ' NH1' ' OD2' ' A' ' 145' ' ' ASP . 1.3 ptp85 -171.66 175.49 3.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.093 0.473 . . . . 0.0 110.649 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 112' ' ' ILE . 9.5 mm -116.98 139.55 43.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.222 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -119.46 -178.93 3.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.697 -179.815 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 150' ' ' TYR . 49.4 t80 -70.59 -3.84 20.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.792 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.06 -59.16 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.318 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.444 ' OE2' ' ND2' ' A' ' 143' ' ' ASN . 38.1 mt-10 -55.68 -49.47 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.206 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 157' ' ' MET . 3.8 t80 -60.31 -28.58 68.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.19 179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 97' ' ' LEU . 1.7 mm? -76.26 -0.39 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -46.03 2.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.706 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 156' ' ' PHE . 7.1 t80 -82.71 -22.97 34.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -125.45 70.87 1.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.07 80.83 8.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.168 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 47.2 68.87 1.02 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.4 t -130.89 149.16 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.141 0.496 . . . . 0.0 110.642 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.451 179.91 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.749 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -112.29 -170.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.452 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.15 -174.03 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 1.3 mt-10 -70.99 -18.72 62.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.646 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.48 -46.58 83.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.37 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.6 -42.94 57.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.396 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -43.54 -50.57 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.469 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.3 m -40.71 -46.85 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 62.1 m-20 -63.21 -38.49 91.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 103' ' ' MET . 6.3 mt -64.19 -34.82 78.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.285 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -72.93 -45.43 58.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.53 ' HG3' ' N ' ' A' ' 103' ' ' MET . 7.9 ptp180 -68.17 -40.28 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.148 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.53 ' N ' ' HG3' ' A' ' 102' ' ' ARG . 3.7 ppp? -66.0 -35.02 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.158 0.504 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -77.77 -30.26 51.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.398 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.61 105.1 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.562 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -88.08 -3.87 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.564 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 109' ' ' ASP . 24.4 p30 -120.81 -12.62 8.79 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.752 -179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.61 61.45 3.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.156 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CG ' ' OD1' ' A' ' 107' ' ' ASN . 36.7 p-10 -116.65 -19.68 9.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.26 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.44 -5.33 31.43 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.46 ' CE2' ' OD2' ' A' ' 149' ' ' ASP . 79.5 m-85 -140.71 123.08 15.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.083 0.468 . . . . 0.0 110.76 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.46 ' HA ' ' OE1' ' A' ' 116' ' ' GLU . 2.1 mt -78.59 143.44 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.845 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.2 OUTLIER -116.8 174.93 5.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.746 -179.75 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.769 HD11 HG22 ' A' ' 133' ' ' ILE . 16.0 tp -59.27 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.538 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 1.4 mt-10 -43.53 -46.93 7.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.48 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 112' ' ' ILE . 12.8 mt-10 -64.41 -43.4 94.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.02 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -50.45 -73.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.184 179.764 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -38.62 -55.34 1.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 179.68 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 68.9 mt -50.82 -38.84 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.0 tpt -65.45 -15.49 62.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.423 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 133' ' ' ILE . 2.9 mt -108.17 -47.77 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 126' ' ' GLU . 0.1 OUTLIER -65.18 -33.62 76.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.439 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 119' ' ' ILE . . . -71.25 -31.13 67.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.918 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 124' ' ' THR . 7.4 t -88.51 58.89 4.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.091 0.472 . . . . 0.0 111.053 -179.567 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 126' ' ' GLU . . . 76.76 2.02 74.61 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.447 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 122' ' ' GLN . 4.3 pt-20 36.22 49.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.056 0.455 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.406 ' O ' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -92.93 33.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.145 179.723 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 129' ' ' THR . 2.7 mp -140.93 162.96 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.517 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.609 ' N ' HG22 ' A' ' 128' ' ' ILE . 1.4 t -124.85 -178.16 4.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.241 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' OG1' ' A' ' 129' ' ' THR . 0.0 OUTLIER -42.76 -40.84 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.282 179.93 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 5.0 m-20 -68.47 73.9 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.235 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.499 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 1.0 OUTLIER 164.07 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.974 -179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 114' ' ' LEU . 39.3 mt -82.89 -53.89 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.279 179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.2 -44.77 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.569 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.412 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 60.8 mt-10 -55.54 -55.06 36.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 -179.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.639 HD22 ' H13' ' A' ' 1' ' ' EMD . 0.6 OUTLIER -64.4 -45.92 85.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.881 -179.596 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.49 ' HB2' ' O ' ' A' ' 133' ' ' ILE . 0.2 OUTLIER -49.49 -64.41 0.81 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.44 -179.823 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -57.75 -25.04 59.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 135' ' ' GLU . 7.4 t0 -64.26 -35.55 81.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.485 ' HA2' ' CD1' ' A' ' 156' ' ' PHE . . . -109.72 21.99 24.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.06 57.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.323 0.583 . . . . 0.0 109.955 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -5.32 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.481 ' N ' ' OE2' ' A' ' 152' ' ' GLU . 38.6 t30 -96.03 -19.11 19.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.269 0.557 . . . . 0.0 109.857 179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.2 m120 55.13 58.43 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.406 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.46 4.4 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.708 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 72.5 31.82 62.72 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -168.44 -176.59 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.045 0.45 . . . . 0.0 110.216 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.429 HG21 ' HD1' ' A' ' 153' ' ' PHE . 6.7 mm -116.82 141.09 36.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 -179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.46 ' OD2' ' CE2' ' A' ' 111' ' ' TYR . 13.2 t70 -117.76 161.6 19.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.671 ' O ' HD23 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -48.19 -42.35 29.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.388 179.912 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -64.07 -50.91 66.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.481 ' OE2' ' N ' ' A' ' 143' ' ' ASN . 56.2 mt-10 -62.69 -44.34 96.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.387 0.613 . . . . 0.0 109.825 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' HD1' HG21 ' A' ' 148' ' ' ILE . 3.3 t80 -63.66 -29.48 70.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.961 179.562 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.82 HD22 HD22 ' A' ' 97' ' ' LEU . 1.8 mm? -76.46 -21.26 56.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.751 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -53.48 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.79 -179.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.485 ' CD1' ' HA2' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -73.36 -43.91 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.712 -179.67 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.703 ' O ' HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -107.53 69.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.556 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.582 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -76.55 64.88 2.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.766 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.471 ' HA2' HD12 ' A' ' 100' ' ' LEU . . . 48.21 65.08 2.69 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.05 -75.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.48 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' EMD . . . . . 0.639 ' H13' HD22 ' A' ' 136' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_