data_1o1v_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 1o1v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? . . . . . 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.466 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 50.1 t60 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 54' ' ' SER . 43.3 m-70 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 54' ' ' SER . 21.6 m-70 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 54' ' ' SER . 55.2 m-70 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 54' ' ' SER . 47.0 m-70 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 54' ' ' SER . 32.6 m-70 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 118.315 -0.85 . . . . 0.0 108.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 54' ' ' SER . 41.4 m-70 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -102.02 90.24 3.9 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 69.42 160.29 0.19 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.27 86.43 0.18 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.94 -57.93 0.3 Allowed Glycine 0 C--N 1.353 1.492 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -97.7 161.75 13.61 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m -163.0 146.68 10.99 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -167.89 -179.54 4.25 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.725 0 CA-C-N 119.7 1.136 . . . . 0.0 110.76 -178.329 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -76.99 69.34 3.27 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.245 0.93 . . . . 0.0 108.838 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? 68.69 155.71 0.12 Allowed 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 119.65 18.03 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 117.217 -1.879 . . . . 0.0 108.482 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -34.2 2.86 Favored Glycine 0 C--N 1.356 1.672 0 CA-C-N 119.484 1.642 . . . . 0.0 111.104 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -139.52 156.43 46.92 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.962 1.381 . . . . 0.0 109.953 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m -156.18 150.31 25.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.0 172.22 9.05 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.719 0 CA-C-O 121.744 0.783 . . . . 0.0 111.5 176.177 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 52.29 55.08 9.67 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? 64.9 162.51 0.13 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.57 97.3 0.24 Allowed Glycine 0 C--N 1.357 1.696 0 N-CA-C 106.317 -2.713 . . . . 0.0 106.317 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.86 -49.24 0.41 Allowed Glycine 0 C--N 1.352 1.417 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -134.17 164.98 26.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 117.193 0.497 . . . . 0.0 110.177 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m -161.61 147.29 13.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.52 -56.98 2.43 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.74 0 CA-C-N 118.377 0.535 . . . . 0.0 110.678 -179.324 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 48.97 60.35 3.8 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.466 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 67.33 163.5 0.2 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.61 88.32 0.17 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.38 -58.15 0.25 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 118.605 1.203 . . . . 0.0 110.928 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -101.53 163.34 12.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.196 -0.907 . . . . 0.0 108.957 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m -157.02 151.4 25.26 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 50.1 t60 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt -98.79 -55.92 2.59 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.752 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.063 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 51.19 57.06 7.04 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 54' ' ' SER . 43.3 m-70 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 61.18 171.51 0.1 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.07 -27.86 47.04 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.742 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.9 -46.15 69.16 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 119.585 1.693 . . . . 0.0 111.88 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -159.42 157.76 30.83 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.658 1.729 . . . . 0.0 112.308 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -144.45 147.55 33.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.5 -58.91 2.4 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.787 0 CA-C-O 121.681 0.753 . . . . 0.0 111.347 178.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 52.46 53.44 12.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.799 0.727 . . . . 0.0 109.567 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 54' ' ' SER . 21.6 m-70 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 59.32 174.34 0.08 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.97 113.18 3.38 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.68 -53.12 0.32 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 119.242 1.521 . . . . 0.0 110.506 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -160.41 149.34 17.06 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.442 -1.266 . . . . 0.0 109.902 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m -148.74 150.77 33.7 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.807 1.185 . . . . 0.0 110.115 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt -85.96 -50.26 7.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.724 0.773 . . . . 0.0 109.74 179.337 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 50.06 58.57 5.32 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.416 ' CH2' ' O3 ' ' A' ' 128' ' ' TCH . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 54' ' ' SER . 55.2 m-70 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? 60.31 176.68 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.22 108.56 1.18 Allowed Glycine 0 C--N 1.354 1.559 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 175.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.24 -53.35 0.2 Allowed Glycine 0 C--N 1.354 1.554 0 CA-C-N 119.524 1.662 . . . . 0.0 111.906 -176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -160.88 154.31 21.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.72 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -149.78 150.69 32.4 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.514 1.052 . . . . 0.0 111.475 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt -89.48 -50.57 6.02 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.794 0 CA-C-O 121.522 0.677 . . . . 0.0 109.571 -178.813 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . 0.416 ' O3 ' ' CH2' ' A' ' 49' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 59.94 48.72 8.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 54' ' ' SER . 47.0 m-70 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 64.41 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 67.1 0.25 Allowed Glycine 0 C--N 1.352 1.453 0 CA-C-N 119.93 1.241 . . . . 0.0 110.868 -173.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.64 -80.72 0.03 OUTLIER Glycine 0 C--N 1.352 1.449 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -106.23 154.26 20.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 117.797 0.798 . . . . 0.0 108.929 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -141.59 151.46 43.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.3 -56.25 3.12 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.076 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 52.23 56.43 7.74 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 54' ' ' SER . 32.6 m-70 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 56.63 54.32 7.49 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.55 32.24 23.49 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.76 -1.022 . . . . 0.0 111.683 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.44 -60.09 0.91 Allowed Glycine 0 C--N 1.354 1.558 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.34 106.49 7.55 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m -78.73 140.31 38.32 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.583 1.083 . . . . 0.0 108.994 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt -94.75 -57.56 2.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.512 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 53.08 54.68 9.99 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 54' ' ' SER . 41.4 m-70 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 56.21 54.34 7.89 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.75 31.42 16.05 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 117.941 -1.477 . . . . 0.0 112.991 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.24 -118.91 4.54 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 104.933 -3.267 . . . . 0.0 104.933 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.14 146.79 41.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.615 1.707 . . . . 0.0 107.338 171.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m -136.95 150.04 47.93 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.495 1.043 . . . . 0.0 110.073 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.9 -47.71 83.74 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.786 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.437 -179.679 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? . . . . . 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' HG22 ' A' ' 114' ' ' ILE . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 17' ' ' PHE . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' ' C ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 118.315 -0.85 . . . . 0.0 108.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -102.02 90.24 3.9 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 69.42 160.29 0.19 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.27 86.43 0.18 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.94 -57.93 0.3 Allowed Glycine 0 C--N 1.353 1.492 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -97.7 161.75 13.61 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m -163.0 146.68 10.99 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -167.89 -179.54 4.25 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.725 0 CA-C-N 119.7 1.136 . . . . 0.0 110.76 -178.329 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -76.99 69.34 3.27 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.245 0.93 . . . . 0.0 108.838 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? 68.69 155.71 0.12 Allowed 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 119.65 18.03 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 117.217 -1.879 . . . . 0.0 108.482 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -34.2 2.86 Favored Glycine 0 C--N 1.356 1.672 0 CA-C-N 119.484 1.642 . . . . 0.0 111.104 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -139.52 156.43 46.92 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.962 1.381 . . . . 0.0 109.953 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m -156.18 150.31 25.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.0 172.22 9.05 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.719 0 CA-C-O 121.744 0.783 . . . . 0.0 111.5 176.177 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 52.29 55.08 9.67 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' HG22 ' A' ' 114' ' ' ILE . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CD2' ' H4A' ' A' ' 128' ' ' TCH . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? 64.9 162.51 0.13 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.57 97.3 0.24 Allowed Glycine 0 C--N 1.357 1.696 0 N-CA-C 106.317 -2.713 . . . . 0.0 106.317 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.86 -49.24 0.41 Allowed Glycine 0 C--N 1.352 1.417 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -134.17 164.98 26.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 117.193 0.497 . . . . 0.0 110.177 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m -161.61 147.29 13.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 17' ' ' PHE . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.52 -56.98 2.43 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.74 0 CA-C-N 118.377 0.535 . . . . 0.0 110.678 -179.324 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TCH . . . . . 0.402 ' H4A' ' CD2' ' A' ' 49' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 48.97 60.35 3.8 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' ' C ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 67.33 163.5 0.2 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.61 88.32 0.17 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.38 -58.15 0.25 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 118.605 1.203 . . . . 0.0 110.928 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -101.53 163.34 12.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.196 -0.907 . . . . 0.0 108.957 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m -157.02 151.4 25.26 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt -98.79 -55.92 2.59 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.752 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.063 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TCH . . . . . 0.416 H21A ' H12' ' A' ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 51.19 57.06 7.04 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 61.18 171.51 0.1 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.07 -27.86 47.04 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.742 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.9 -46.15 69.16 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 119.585 1.693 . . . . 0.0 111.88 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -159.42 157.76 30.83 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.658 1.729 . . . . 0.0 112.308 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -144.45 147.55 33.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.5 -58.91 2.4 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.787 0 CA-C-O 121.681 0.753 . . . . 0.0 111.347 178.884 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 52.46 53.44 12.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.799 0.727 . . . . 0.0 109.567 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 59.32 174.34 0.08 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.97 113.18 3.38 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.68 -53.12 0.32 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 119.242 1.521 . . . . 0.0 110.506 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -160.41 149.34 17.06 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.442 -1.266 . . . . 0.0 109.902 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m -148.74 150.77 33.7 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.807 1.185 . . . . 0.0 110.115 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt -85.96 -50.26 7.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.724 0.773 . . . . 0.0 109.74 179.337 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 50.06 58.57 5.32 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.416 ' CH2' ' O3 ' ' A' ' 128' ' ' TCH . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? 60.31 176.68 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.22 108.56 1.18 Allowed Glycine 0 C--N 1.354 1.559 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 175.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.24 -53.35 0.2 Allowed Glycine 0 C--N 1.354 1.554 0 CA-C-N 119.524 1.662 . . . . 0.0 111.906 -176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -160.88 154.31 21.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.72 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -149.78 150.69 32.4 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.514 1.052 . . . . 0.0 111.475 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt -89.48 -50.57 6.02 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.794 0 CA-C-O 121.522 0.677 . . . . 0.0 109.571 -178.813 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TCH . . . . . 0.416 ' O3 ' ' CH2' ' A' ' 49' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 59.94 48.72 8.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 64.41 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 67.1 0.25 Allowed Glycine 0 C--N 1.352 1.453 0 CA-C-N 119.93 1.241 . . . . 0.0 110.868 -173.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.64 -80.72 0.03 OUTLIER Glycine 0 C--N 1.352 1.449 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -106.23 154.26 20.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 117.797 0.798 . . . . 0.0 108.929 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -141.59 151.46 43.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.3 -56.25 3.12 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.076 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 52.23 56.43 7.74 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 56.63 54.32 7.49 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.55 32.24 23.49 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.76 -1.022 . . . . 0.0 111.683 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.44 -60.09 0.91 Allowed Glycine 0 C--N 1.354 1.558 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.34 106.49 7.55 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m -78.73 140.31 38.32 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.583 1.083 . . . . 0.0 108.994 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt -94.75 -57.56 2.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.512 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 53.08 54.68 9.99 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 56.21 54.34 7.89 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.75 31.42 16.05 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 117.941 -1.477 . . . . 0.0 112.991 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.24 -118.91 4.54 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 104.933 -3.267 . . . . 0.0 104.933 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.14 146.79 41.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.615 1.707 . . . . 0.0 107.338 171.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m -136.95 150.04 47.93 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.495 1.043 . . . . 0.0 110.073 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.9 -47.71 83.74 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.786 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.437 -179.679 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? . . . . . 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.511 -0.552 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' HG22 ' A' ' 114' ' ' ILE . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 17' ' ' PHE . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.466 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? . . . . . 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 50.1 t60 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 54' ' ' SER . 43.3 m-70 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 54' ' ' SER . 21.6 m-70 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt . . . . . 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 54' ' ' SER . 55.2 m-70 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? . . . . . 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 54' ' ' SER . 47.0 m-70 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 54' ' ' SER . 32.6 m-70 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 118.315 -0.85 . . . . 0.0 108.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 54' ' ' SER . 41.4 m-70 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -102.02 90.24 3.9 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.8 m -144.09 152.95 41.65 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.521 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.08 -178.86 34.87 Favored Glycine 0 C--N 1.355 1.596 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -81.59 163.8 22.34 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -147.64 155.25 41.6 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.174 -1.394 . . . . 0.0 108.228 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -124.94 85.28 2.39 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.917 1.235 . . . . 0.0 109.474 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.3 ttm -60.24 137.19 58.17 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.252 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.73 -49.16 0.05 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-O 116.477 -1.725 . . . . 0.0 114.269 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -108.89 133.89 52.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 121.793 2.088 . . . . 0.0 108.731 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -142.66 169.65 17.17 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.718 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -134.26 155.47 50.12 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.725 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 41.59 36.68 0.6 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.647 1.112 . . . . 0.0 112.222 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.71 -54.95 15.25 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.538 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.83 -44.44 96.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.607 -0.837 . . . . 0.0 111.45 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.52 -49.08 78.15 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.556 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.43 -48.42 74.46 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.039 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 mmt -66.76 -40.56 88.3 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.724 -0.79 . . . . 0.0 109.602 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.47 -42.86 88.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.506 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.4 mt -66.1 -43.35 87.54 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.344 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -51.63 -36.72 47.08 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.16 73.5 0.78 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 106.666 -2.573 . . . . 0.0 106.666 174.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 mm -136.39 150.92 27.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.585 -170.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -79.36 141.24 37.1 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.514 1.052 . . . . 0.0 110.982 -174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.8 t -55.49 -42.59 74.63 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.087 0.858 . . . . 0.0 112.248 -174.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.8 -45.03 70.64 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.239 0.927 . . . . 0.0 110.546 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 m -77.94 -27.78 15.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-O 117.185 -1.388 . . . . 0.0 110.253 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.89 -53.24 50.43 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 121.103 1.774 . . . . 0.0 106.533 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.07 -49.67 69.15 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.146 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -66.0 -35.01 79.41 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.786 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.44 94.21 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.119 -0.944 . . . . 0.0 109.574 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.6 1.091 . . . . 0.0 108.831 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -53.55 -44.79 69.53 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 120.156 -0.617 . . . . 0.0 109.684 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -77.7 113.96 16.07 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.403 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -60.65 127.35 31.22 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.2 mt -79.44 147.92 6.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.8 t -119.82 152.89 22.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.9 m -144.93 154.77 42.94 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -148.93 146.58 27.93 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.061 -1.447 . . . . 0.0 108.171 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.03 150.85 24.94 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.407 1.003 . . . . 0.0 109.505 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -133.24 78.65 1.79 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -58.31 146.93 32.66 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -150.35 66.77 0.96 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.997 0.817 . . . . 0.0 110.068 -172.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.03 60.21 9.46 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.322 -1.266 . . . . 0.0 111.426 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 88.67 -38.28 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.431 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.18 156.33 26.99 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.003 1.274 . . . . 0.0 108.296 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -141.7 152.06 43.53 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.814 -1.088 . . . . 0.0 108.981 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.5 m -128.51 85.94 2.39 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 168.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -82.11 147.14 29.24 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.134 -1.412 . . . . 0.0 107.579 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -136.27 159.97 40.12 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.136 1.334 . . . . 0.0 109.84 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -136.64 163.76 29.82 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -151.2 111.95 4.24 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -156.9 162.7 39.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 121.701 2.046 . . . . 0.0 114.156 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 63.9 m 47.89 70.25 0.45 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.914 0.759 . . . . 0.0 109.255 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.94 25.16 58.5 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.249 -1.306 . . . . 0.0 110.58 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.15 26.62 58.92 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 119.488 1.644 . . . . 0.0 113.22 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 54' ' ' SER . 62.2 m-70 -62.44 116.97 5.55 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.147 1.973 . . . . 0.0 107.335 178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.1 m -72.16 147.64 46.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.386 0.994 . . . . 0.0 110.368 -176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 58.1 ttp -143.77 148.46 35.65 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.296 -1.335 . . . . 0.0 107.408 170.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.3 m -109.42 148.0 31.87 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -141.03 161.36 38.03 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 175.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -166.01 157.43 13.72 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 119.536 1.062 . . . . 0.0 110.585 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -174.13 166.61 4.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.418 -178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -118.21 133.54 55.81 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 170.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -70.56 144.34 13.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 119.445 1.02 . . . . 0.0 109.042 -172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.41 -25.74 12.1 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-O 117.311 -1.827 . . . . 0.0 111.841 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.28 155.79 18.75 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.054 1.927 . . . . 0.0 108.13 -175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -72.27 148.53 45.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -143.85 154.73 43.68 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.702 -1.142 . . . . 0.0 109.454 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -82.03 132.09 35.25 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.3 mm -121.59 105.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.79 154.67 32.68 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.673 1.124 . . . . 0.0 107.998 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -132.41 69.77 1.48 Allowed 'General case' 0 C--N 1.352 0.678 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 69.42 160.29 0.19 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.922 0.764 . . . . 0.0 109.713 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.27 86.43 0.18 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.94 -57.93 0.3 Allowed Glycine 0 C--N 1.353 1.492 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -97.7 161.75 13.61 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.7 m -163.0 146.68 10.99 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.43 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -154.66 168.1 27.93 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.877 -1.059 . . . . 0.0 109.791 172.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -106.15 149.63 26.61 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.03 167.76 18.06 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.78 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.9 m -109.42 126.33 53.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.499 -1.238 . . . . 0.0 109.32 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.87 148.37 5.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -141.48 164.67 29.61 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.433 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.9 tpp -133.04 106.23 7.53 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.994 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -100.84 78.28 1.94 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.45 -130.23 26.06 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.47 -31.32 77.08 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.433 1.617 . . . . 0.0 112.465 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -78.36 148.93 33.53 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.689 1.745 . . . . 0.0 110.271 -175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -106.41 83.03 1.81 Allowed 'General case' 0 C--N 1.353 0.754 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.87 159.36 5.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.9 p -159.3 154.99 4.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.716 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -138.53 157.63 45.8 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.992 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.514 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 35.3 m-85 -145.45 164.82 24.21 Favored Pre-proline 0 C--N 1.358 0.965 0 CA-C-O 115.914 -1.993 . . . . 0.0 108.985 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.82 126.05 21.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 123.902 2.429 . . . . 0.0 112.098 172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 48.43 40.89 15.79 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.319 0.963 . . . . 0.0 113.244 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.05 140.65 1.23 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.592 -1.67 . . . . 0.0 107.722 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 48.6 t60 -145.64 158.99 43.78 Favored 'General case' 0 C--N 1.359 0.984 0 CA-C-N 121.239 1.836 . . . . 0.0 111.04 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 22.0 tt0 -156.1 162.45 40.26 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.628 175.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 p -136.98 142.35 42.58 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.998 -1.477 . . . . 0.0 107.968 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.1 m -114.37 159.2 20.52 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -161.34 147.98 14.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.485 -1.245 . . . . 0.0 111.065 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 42.8 mm -99.34 129.37 49.91 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -133.32 133.68 57.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-N 119.965 1.257 . . . . 0.0 108.304 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.73 33.58 42.51 Favored Glycine 0 C--N 1.356 1.659 0 CA-C-N 120.16 1.346 . . . . 0.0 112.34 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 57.39 42.66 24.46 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 118.745 1.272 . . . . 0.0 110.818 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.54 146.82 48.44 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.48 119.35 28.85 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 m -132.45 157.65 43.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -145.04 163.44 34.25 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.787 1.176 . . . . 0.0 110.266 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.6 t -131.12 83.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.815 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -86.5 160.26 19.04 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.869 -1.062 . . . . 0.0 108.931 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.6 m -158.21 146.56 18.76 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.225 -1.369 . . . . 0.0 110.168 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.2 tt -157.89 151.18 7.92 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.977 1.262 . . . . 0.0 110.475 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.84 -94.99 0.02 OUTLIER Glycine 0 C--N 1.356 1.657 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -149.53 51.05 0.55 Allowed Glycine 0 C--N 1.354 1.55 0 CA-C-N 118.56 1.18 . . . . 0.0 110.36 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.13 144.24 8.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.165 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.5 t -78.56 -176.52 4.86 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.465 1.029 . . . . 0.0 109.8 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.38 73.23 0.31 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.17 144.42 56.93 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.871 -1.062 . . . . 0.0 108.404 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -125.21 156.95 37.67 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.0 t -135.87 141.36 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -152.42 111.89 3.91 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.04 156.17 39.94 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 117.357 -1.306 . . . . 0.0 108.689 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -97.87 147.29 24.58 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -167.89 -179.54 4.25 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.797 -1.096 . . . . 0.0 108.796 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.725 0 CA-C-N 119.7 1.136 . . . . 0.0 110.76 -178.329 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -76.99 69.34 3.27 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.245 0.93 . . . . 0.0 108.838 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.2 m -156.55 152.77 27.71 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.962 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.36 -175.24 42.49 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.578 -1.123 . . . . 0.0 111.342 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -90.67 158.16 17.07 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 117.762 0.781 . . . . 0.0 110.256 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -146.73 162.84 37.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.021 -1.466 . . . . 0.0 108.068 176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -120.46 93.24 3.98 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.88 1.218 . . . . 0.0 108.489 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.9 ttm -71.08 133.82 46.56 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -160.7 -48.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.092 -1.432 . . . . 0.0 113.95 -167.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -98.24 127.31 44.11 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 121.04 1.745 . . . . 0.0 107.389 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -140.67 163.47 32.78 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.06 -0.972 . . . . 0.0 109.251 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.04 168.34 10.01 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 116.485 -1.722 . . . . 0.0 107.365 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.0 m120 36.05 40.76 0.11 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.266 1.393 . . . . 0.0 113.168 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -73.61 -58.77 3.07 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.461 -0.895 . . . . 0.0 109.176 -175.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.3 -41.0 92.51 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.209 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -59.97 -53.56 56.37 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.768 -0.773 . . . . 0.0 108.966 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CG ' ' CD2' ' A' ' 119' ' ' TYR . 63.5 t80 -57.31 -48.15 79.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.308 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 21.6 mmt -66.92 -41.76 86.52 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.933 -175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.33 -44.09 79.68 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.039 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.3 -42.0 84.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.672 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -52.65 -39.27 61.64 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.13 68.68 0.39 Allowed Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.664 -2.174 . . . . 0.0 107.664 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -138.14 150.17 24.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.171 -171.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -76.72 156.78 32.21 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.861 1.21 . . . . 0.0 111.497 -176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.6 t -64.32 -43.09 95.74 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.722 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -50.21 -52.38 36.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.647 -0.692 . . . . 0.0 111.191 -175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -71.28 -31.41 43.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.667 -1.159 . . . . 0.0 110.375 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.74 -47.29 74.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 120.286 1.403 . . . . 0.0 108.343 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -49.2 78.31 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.04 0.836 . . . . 0.0 109.255 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -57.81 -46.06 85.22 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.704 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.41 81.19 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.859 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -62.14 -49.66 74.99 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.434 1.015 . . . . 0.0 108.654 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -54.18 -43.78 70.96 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.893 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.28 149.09 33.62 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.837 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -87.03 113.46 22.8 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.99 120.4 14.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -176.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.8 t -88.74 145.47 7.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 m -127.89 151.74 48.71 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -145.79 146.51 31.22 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.13 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -142.13 149.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-O 117.99 -1.005 . . . . 0.0 111.451 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.91 74.64 1.5 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.7 151.89 20.02 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -158.38 68.89 0.49 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-N 118.613 0.642 . . . . 0.0 110.46 -171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.01 73.64 0.46 Allowed Glycine 0 C--N 1.353 1.501 0 C-N-CA 119.786 -1.197 . . . . 0.0 110.536 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 56.4 31.14 18.2 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 117.616 0.708 . . . . 0.0 111.521 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.0 t70 -151.97 155.56 38.27 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 116.946 -1.502 . . . . 0.0 108.024 175.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 26.3 m-85 -146.51 149.68 34.09 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 120.358 1.435 . . . . 0.0 111.321 -170.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.4 m -122.95 82.78 2.03 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 103.047 -2.945 . . . . 0.0 103.047 164.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -78.28 158.5 28.87 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.393 -1.289 . . . . 0.0 107.894 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -149.76 161.23 42.64 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 120.711 1.596 . . . . 0.0 110.894 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -134.02 166.33 22.97 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -151.31 120.69 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.32 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -156.42 162.43 40.02 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 122.201 2.273 . . . . 0.0 115.724 -170.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.7 m 44.71 67.59 0.67 Allowed 'General case' 0 C--N 1.36 1.05 0 O-C-N 124.052 0.845 . . . . 0.0 109.809 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.71 24.15 43.48 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-O 118.341 -1.255 . . . . 0.0 110.926 -169.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.49 27.37 58.28 Favored Glycine 0 C--N 1.355 1.629 0 CA-C-N 119.483 1.642 . . . . 0.0 113.594 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 54' ' ' SER . 78.6 m-70 -61.68 112.31 2.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.936 1.868 . . . . 0.0 107.718 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.8 m -68.01 145.97 53.98 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.382 0.992 . . . . 0.0 110.611 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 64.2 ttp -141.52 135.08 29.81 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 168.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.0 m -101.98 149.95 23.71 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -141.83 159.53 42.03 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -165.72 154.76 11.84 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 119.61 1.096 . . . . 0.0 110.49 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -173.39 155.02 2.75 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.248 -175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 m -100.89 125.14 47.42 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 170.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.8 m -68.28 148.82 11.63 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 CA-C-N 120.037 1.29 . . . . 0.0 109.138 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.06 -28.72 9.92 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.713 -1.604 . . . . 0.0 111.117 -175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -103.38 162.01 13.37 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.517 1.658 . . . . 0.0 108.228 -176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.65 149.53 39.94 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 m -143.6 150.53 38.94 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.796 -1.097 . . . . 0.0 110.023 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -77.18 133.66 38.87 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.7 mm -124.63 107.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.85 152.46 27.2 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.796 1.18 . . . . 0.0 108.209 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 m -127.34 63.51 1.34 Allowed 'General case' 0 C--N 1.351 0.674 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.1 mpp? 68.69 155.71 0.12 Allowed 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.678 1.236 . . . . 0.0 109.679 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.12 119.65 18.03 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 117.217 -1.879 . . . . 0.0 108.482 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.27 -34.2 2.86 Favored Glycine 0 C--N 1.356 1.672 0 CA-C-N 119.484 1.642 . . . . 0.0 111.104 -178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -139.52 156.43 46.92 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.962 1.381 . . . . 0.0 109.953 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 99.2 m -156.18 150.31 25.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.459 -176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.4 169.17 22.08 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.554 -0.736 . . . . 0.0 109.317 169.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -96.09 163.72 13.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 175.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.12 158.49 44.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.116 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.0 m -108.36 93.06 4.33 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.036 -2.209 . . . . 0.0 105.036 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.6 141.22 16.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -145.41 153.9 41.69 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.933 -1.508 . . . . 0.0 107.969 -171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.8 ttt -127.55 91.9 3.39 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.31 1.414 . . . . 0.0 109.141 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.43 67.45 9.89 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 50.8 -90.42 0.01 OUTLIER Glycine 0 C--N 1.356 1.679 0 CA-C-O 118.975 -0.903 . . . . 0.0 112.972 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.57 -29.19 39.36 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.236 -1.869 . . . . 0.0 114.115 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -137.37 164.28 29.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.807 1.804 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.37 80.9 2.68 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.02 157.08 5.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.142 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 p -159.26 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.569 -1.205 . . . . 0.0 110.48 175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -135.8 163.08 31.04 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.168 0.895 . . . . 0.0 110.396 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 31.4 m-85 -152.59 165.33 17.78 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 115.818 -2.039 . . . . 0.0 108.838 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -53.99 122.62 11.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 CA-C-N 124.029 2.475 . . . . 0.0 112.302 172.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 50.02 42.59 24.89 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.299 0.954 . . . . 0.0 112.841 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CE2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -171.9 139.12 1.11 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 116.432 -1.747 . . . . 0.0 107.561 -178.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 46.5 t60 -144.79 160.92 40.48 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 121.228 1.831 . . . . 0.0 110.814 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 20.3 tt0 -160.13 162.36 33.95 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.462 175.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 72.2 p -138.58 115.16 10.57 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 116.903 -1.522 . . . . 0.0 108.586 170.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.2 m -84.28 160.53 20.72 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.836 1.653 . . . . 0.0 108.022 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -156.49 149.85 24.41 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.797 -1.097 . . . . 0.0 111.308 -171.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 32.5 mm -105.67 138.81 29.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.0 t -135.23 99.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.26 48.86 75.59 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 119.754 -1.212 . . . . 0.0 110.454 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.4 t70 61.23 26.99 16.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.179 -0.915 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -118.77 179.79 4.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.8 tp -129.94 111.91 13.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -124.88 165.89 21.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -141.67 159.46 42.18 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.564 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.6 t -126.89 78.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.786 0 N-CA-C 103.981 -2.6 . . . . 0.0 103.981 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.4 m -84.25 167.24 16.81 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.035 -176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.8 t -163.22 159.73 23.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.506 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.94 150.12 3.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.063 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.8 -96.03 0.02 OUTLIER Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.299 -1.279 . . . . 0.0 110.142 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.6 50.79 0.58 Allowed Glycine 0 C--N 1.355 1.594 0 CA-C-N 118.651 1.225 . . . . 0.0 110.284 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.2 p -157.0 144.53 10.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.587 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 t -80.08 -179.94 7.29 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.683 1.128 . . . . 0.0 109.01 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' CG ' ' A' ' 17' ' ' PHE . 6.1 t80 -157.75 69.47 0.54 Allowed 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -60.94 147.44 43.28 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.772 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.43 161.99 32.29 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.503 -1.237 . . . . 0.0 108.299 172.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.0 t -139.38 141.98 34.26 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 117.772 -1.109 . . . . 0.0 108.288 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 118.95 5.0 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.365 -1.303 . . . . 0.0 109.277 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.55 152.35 27.29 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 120.261 1.391 . . . . 0.0 109.107 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -89.86 142.78 27.37 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.959 -1.019 . . . . 0.0 108.626 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -168.0 172.22 9.05 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.168 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.719 0 CA-C-O 121.744 0.783 . . . . 0.0 111.5 176.177 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 52.29 55.08 9.67 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.3 m -144.62 152.16 40.08 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 117.965 -1.016 . . . . 0.0 108.44 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.93 -146.41 18.2 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 117.383 -1.787 . . . . 0.0 109.486 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -130.42 151.86 50.45 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 118.82 1.31 . . . . 0.0 110.043 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -143.79 165.75 26.81 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.532 -1.223 . . . . 0.0 110.035 -175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -128.66 93.04 3.53 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.4 ttm -69.67 130.8 43.37 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.184 -0.912 . . . . 0.0 109.041 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -162.02 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-O 117.118 -1.42 . . . . 0.0 114.575 -166.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 t -91.3 68.75 5.95 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 121.508 1.958 . . . . 0.0 107.988 -177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.03 160.87 21.88 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 81.9 mttt -127.02 156.17 42.05 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.122 -1.418 . . . . 0.0 109.478 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 12' ' ' LYS . 25.8 m120 33.11 44.67 0.06 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.979 1.263 . . . . 0.0 111.931 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -71.6 -51.65 22.16 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.068 -171.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.316 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.07 -56.13 24.58 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' HG22 ' A' ' 114' ' ' ILE . 47.0 t80 -54.54 -47.27 73.37 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.435 -0.906 . . . . 0.0 110.381 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.1 mmt -60.74 -44.13 97.06 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.125 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.71 -42.54 75.41 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 119.285 -0.966 . . . . 0.0 109.242 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.13 -44.11 93.19 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 tp -53.5 -32.33 49.87 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.82 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 72.66 0.84 Allowed Glycine 0 C--N 1.355 1.618 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mm -139.11 152.39 23.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 118.033 -0.985 . . . . 0.0 108.517 -168.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.2 m -75.73 160.06 30.44 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.483 1.038 . . . . 0.0 111.035 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.4 t -73.16 -48.0 39.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.896 -0.721 . . . . 0.0 109.79 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.44 -44.74 65.65 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.262 0.937 . . . . 0.0 110.884 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.39 -35.27 70.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.964 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.57 -51.66 67.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 120.392 1.451 . . . . 0.0 108.72 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.82 -53.47 57.81 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.79 -0.764 . . . . 0.0 109.589 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 119.787 -0.765 . . . . 0.0 109.767 -175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.66 98.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.064 -176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.25 -50.11 67.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.564 1.074 . . . . 0.0 108.686 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -54.0 -41.66 68.2 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.437 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -84.92 138.1 32.71 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.535 -1.222 . . . . 0.0 109.467 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -74.54 118.25 17.29 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.27 135.58 28.27 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.8 t -110.58 148.2 14.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 m -134.37 151.4 51.19 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.175 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -147.17 142.36 27.23 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.836 -1.554 . . . . 0.0 109.032 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.55 149.21 18.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.676 1.125 . . . . 0.0 111.049 -171.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -133.91 83.55 2.05 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.91 145.51 55.7 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 119.054 -1.058 . . . . 0.0 109.635 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -133.73 172.3 12.95 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.82 101.95 0.03 OUTLIER Glycine 0 C--N 1.354 1.574 0 CA-C-N 120.573 1.533 . . . . 0.0 113.175 -176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 47.79 42.75 16.27 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 118.969 1.384 . . . . 0.0 110.35 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 30.5 t70 -159.57 161.4 35.18 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.937 -1.506 . . . . 0.0 108.73 -176.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 58.9 m-85 -151.03 150.73 31.09 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.266 1.394 . . . . 0.0 112.248 -170.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 88.7 m -125.4 79.1 1.78 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.378 -2.823 . . . . 0.0 103.378 165.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CD2' ' H4A' ' A' ' 128' ' ' TCH . 16.5 t-105 -80.4 161.22 25.08 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 117.716 -1.135 . . . . 0.0 108.896 -175.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.1 t -152.46 161.39 42.65 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.028 1.286 . . . . 0.0 111.749 171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -132.54 164.37 26.78 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -149.22 130.88 14.97 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.063 -1.922 . . . . 0.0 107.931 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -159.98 166.63 29.66 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.406 1.912 . . . . 0.0 115.646 -170.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.43 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 50.2 m 38.61 67.81 0.39 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 124.422 1.076 . . . . 0.0 112.993 172.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.96 44.57 6.67 Favored Glycine 0 C--N 1.351 1.38 0 C-N-CA 119.891 -1.147 . . . . 0.0 110.916 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.89 30.72 37.54 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.322 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' ' O ' ' A' ' 54' ' ' SER . 19.2 m-70 -74.24 -179.01 3.66 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.691 1.745 . . . . 0.0 106.705 171.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.6 m -149.09 150.01 32.03 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 120.484 1.493 . . . . 0.0 111.932 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.0 ttm -136.72 103.19 5.13 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 m -77.48 144.71 37.53 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -138.83 158.65 43.84 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.85 153.55 26.56 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.436 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -173.2 158.59 3.67 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.702 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.0 m -104.76 118.03 35.55 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.48 151.06 7.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 120.359 1.436 . . . . 0.0 109.041 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.65 -44.92 2.55 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.23 157.99 18.04 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 175.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.6 m -142.52 152.34 42.55 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.695 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.08 136.85 41.14 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.1 mm -135.33 110.49 11.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.38 156.14 33.16 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.619 1.099 . . . . 0.0 109.152 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.2 m -136.05 58.54 1.74 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.5 mpp? 64.9 162.51 0.13 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.258 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.57 97.3 0.24 Allowed Glycine 0 C--N 1.357 1.696 0 N-CA-C 106.317 -2.713 . . . . 0.0 106.317 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 158.86 -49.24 0.41 Allowed Glycine 0 C--N 1.352 1.417 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -134.17 164.98 26.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 117.193 0.497 . . . . 0.0 110.177 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.1 m -161.61 147.29 13.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.249 -1.358 . . . . 0.0 107.603 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.93 165.31 36.52 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.242 1.383 . . . . 0.0 111.509 174.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -100.78 76.03 1.76 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.75 160.42 30.42 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 117.762 -1.113 . . . . 0.0 109.501 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -115.5 115.56 26.71 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.62 143.25 11.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -138.6 149.04 44.83 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 116.949 -1.5 . . . . 0.0 108.315 -172.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 tpp -113.32 102.16 10.08 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -86.11 76.16 9.81 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.24 -96.92 0.15 Allowed Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.754 -1.025 . . . . 0.0 110.602 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.29 -48.59 6.31 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 118.649 1.225 . . . . 0.0 111.814 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.68 148.21 33.22 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.657 1.228 . . . . 0.0 110.153 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.4 tp -97.7 80.39 2.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.28 158.12 5.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.226 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -154.71 156.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.866 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -138.61 161.02 38.15 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 119.25 0.932 . . . . 0.0 111.19 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.531 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 51.6 m-85 -148.52 162.25 30.74 Favored Pre-proline 0 C--N 1.356 0.886 0 CA-C-O 116.047 -1.93 . . . . 0.0 108.46 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -63.98 134.69 44.24 Favored 'Trans proline' 0 C--N 1.356 0.941 0 CA-C-N 123.728 2.367 . . . . 0.0 109.344 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 51.05 35.89 14.01 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 118.208 -0.901 . . . . 0.0 113.227 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -173.87 143.26 0.95 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 117.572 -1.204 . . . . 0.0 109.165 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -146.02 158.11 43.87 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.312 1.415 . . . . 0.0 110.224 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -158.6 160.55 36.68 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.433 -1.27 . . . . 0.0 108.485 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.7 p -132.48 142.26 49.15 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.04 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -111.33 156.45 21.53 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -159.7 152.39 21.42 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.664 -172.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.4 133.21 49.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 117.257 -1.354 . . . . 0.0 107.499 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.8 t -139.8 127.48 25.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.194 -1.384 . . . . 0.0 107.874 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 56.18 35.08 63.68 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 120.636 1.562 . . . . 0.0 111.63 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.9 t70 55.96 33.11 21.12 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.506 1.153 . . . . 0.0 111.915 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -118.29 169.26 9.87 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.3 tp -111.58 137.47 49.38 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.3 p -153.99 149.2 13.0 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 117.059 -1.448 . . . . 0.0 107.974 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.71 165.84 26.39 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.972 1.26 . . . . 0.0 109.979 -176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.4 t -129.44 99.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -78.49 147.66 33.81 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.572 -1.68 . . . . 0.0 107.443 -176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.3 m -144.55 137.14 26.6 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.227 1.376 . . . . 0.0 110.149 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 17' ' ' PHE . 18.6 tt -161.88 144.34 3.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 117.158 -1.401 . . . . 0.0 109.921 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.96 -125.43 14.94 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 117.331 -1.816 . . . . 0.0 109.565 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.45 47.34 1.05 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 92.9 t -142.91 151.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -157.65 163.39 38.29 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.729 -1.129 . . . . 0.0 109.959 -178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 12' ' ' LYS . 3.6 p90 -162.46 162.96 27.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.511 -1.233 . . . . 0.0 111.079 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -100.94 129.53 46.8 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.578 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -95.17 140.62 29.84 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 169.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.51 146.51 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.504 1.502 . . . . 0.0 108.031 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.8 t -155.91 117.05 3.87 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.541 -1.218 . . . . 0.0 110.255 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -80.57 152.3 28.67 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.362 1.437 . . . . 0.0 109.229 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -86.68 139.3 30.9 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.663 -1.16 . . . . 0.0 107.87 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.52 -56.98 2.43 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.74 0 CA-C-N 118.377 0.535 . . . . 0.0 110.678 -179.324 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . 0.402 ' H4A' ' CD2' ' A' ' 49' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.519 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 48.97 60.35 3.8 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.4 m -150.03 148.16 28.7 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.668 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.26 12.78 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 118.542 -1.143 . . . . 0.0 110.674 174.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -119.79 153.11 36.2 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.257 -1.354 . . . . 0.0 108.119 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -147.68 138.73 23.49 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.193 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -98.11 97.84 9.22 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.579 1.536 . . . . 0.0 109.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 ttm -74.26 135.77 42.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 118.274 -0.869 . . . . 0.0 108.659 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -161.11 -50.04 0.05 OUTLIER 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.483 -1.246 . . . . 0.0 112.83 -170.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.2 t -79.64 131.22 35.92 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.093 1.77 . . . . 0.0 106.56 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -144.24 150.44 37.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.211 -1.376 . . . . 0.0 108.919 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 147.67 38.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 116.974 -1.489 . . . . 0.0 107.462 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m120 37.38 40.79 0.22 Allowed 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.729 1.149 . . . . 0.0 112.749 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.19 -54.81 27.72 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.954 -0.698 . . . . 0.0 110.455 -175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.72 -45.9 90.75 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.252 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.5 -55.26 25.46 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.164 -1.014 . . . . 0.0 108.552 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.51 -44.08 68.81 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.671 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.2 mmt -64.49 -44.31 91.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.144 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -56.52 -39.93 74.18 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.335 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.28 -43.96 80.51 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -51.78 -34.02 37.84 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.45 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 69.93 0.67 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 106.741 -2.544 . . . . 0.0 106.741 174.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mm -136.07 150.79 28.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -171.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.0 m -74.24 159.43 32.49 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.692 1.133 . . . . 0.0 111.09 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -70.79 -47.82 57.47 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.022 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -53.8 -44.15 69.92 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.391 -0.923 . . . . 0.0 110.758 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -71.27 -32.44 47.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-O 117.488 -1.244 . . . . 0.0 109.303 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -56.78 -52.11 58.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 CA-C-N 120.354 1.434 . . . . 0.0 108.264 173.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.62 -53.65 55.13 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.89 -41.55 87.42 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.05 95.21 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.866 -1.064 . . . . 0.0 110.747 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.59 -52.43 38.6 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.821 1.191 . . . . 0.0 109.128 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -52.38 -44.67 65.44 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.691 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -75.14 142.07 43.62 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.941 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -81.16 117.82 22.03 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.74 145.25 14.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -119.2 146.62 23.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 m -131.96 151.05 51.96 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -147.65 144.7 28.56 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 117.339 -1.315 . . . . 0.0 109.258 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.32 150.27 16.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.351 -170.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -136.98 86.16 2.19 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -59.41 144.46 46.77 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -156.2 73.98 0.82 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.593 1.088 . . . . 0.0 109.816 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.91 61.98 5.37 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 74.07 -8.48 1.42 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.464 -1.731 . . . . 0.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -95.41 159.95 14.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.046 1.748 . . . . 0.0 107.58 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -149.88 97.69 2.62 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.526 -1.226 . . . . 0.0 108.609 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.9 m -79.93 88.04 5.33 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -85.03 152.82 23.15 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.675 -178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.7 t -147.85 161.88 40.39 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.947 1.248 . . . . 0.0 112.622 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -136.82 162.11 34.12 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -149.57 127.27 11.69 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 115.979 -1.962 . . . . 0.0 106.45 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -160.73 160.0 30.83 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.803 2.092 . . . . 0.0 114.239 -169.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 55.5 m 47.03 73.29 0.19 Allowed 'General case' 0 C--N 1.357 0.92 0 O-C-N 123.861 0.726 . . . . 0.0 109.787 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.05 26.15 62.73 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 119.59 -1.29 . . . . 0.0 110.181 -171.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.52 25.78 55.8 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.741 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 54' ' ' SER . 59.0 m-70 -61.45 126.03 25.91 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.466 2.133 . . . . 0.0 107.169 177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.9 m -81.68 144.78 30.93 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.595 1.089 . . . . 0.0 112.027 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.466 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -129.58 146.74 51.36 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 165.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.2 m -150.46 125.4 9.85 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.43 1.468 . . . . 0.0 110.84 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -125.58 160.04 30.6 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -136.12 160.33 38.99 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.973 0.806 . . . . 0.0 109.051 173.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -166.67 160.85 15.34 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.513 -1.232 . . . . 0.0 110.542 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 m -108.58 132.99 53.31 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -71.76 149.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-N 119.693 1.133 . . . . 0.0 109.243 -173.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.04 -28.72 7.62 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 117.484 -1.731 . . . . 0.0 111.79 -175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -100.01 155.52 17.66 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.945 1.872 . . . . 0.0 108.171 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.59 139.46 53.68 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 172.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -140.2 145.7 37.77 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.4 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -74.44 142.68 44.92 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.1 mm -123.19 152.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.5 154.52 30.24 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.358 1.435 . . . . 0.0 108.923 173.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.92 74.2 1.19 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 3.8 mpp? 67.33 163.5 0.2 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 124.623 1.202 . . . . 0.0 110.107 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.61 88.32 0.17 Allowed Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.38 -58.15 0.25 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 118.605 1.203 . . . . 0.0 110.928 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -101.53 163.34 12.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.196 -0.907 . . . . 0.0 108.957 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.6 m -157.02 151.4 25.26 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.765 -1.112 . . . . 0.0 110.974 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -163.45 164.65 24.41 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.796 176.273 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -117.67 161.99 18.76 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 119.715 1.143 . . . . 0.0 110.216 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . . . -171.89 166.97 6.35 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.654 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.8 m -95.56 117.79 31.07 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 171.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 t -84.02 132.58 31.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 103.332 -2.84 . . . . 0.0 103.332 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -121.63 173.72 7.26 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 18.5 ttt -137.45 135.11 36.56 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.417 -1.278 . . . . 0.0 108.433 174.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -120.78 63.96 0.86 Allowed 'General case' 0 C--N 1.354 0.777 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.75 -97.83 0.08 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.644 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.58 -49.8 74.66 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 118.621 1.21 . . . . 0.0 111.38 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -91.98 160.74 15.11 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.356 1.078 . . . . 0.0 110.947 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.5 tp -106.09 144.3 33.0 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 166.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.0 t -140.01 158.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.768 1.622 . . . . 0.0 111.33 -163.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.54 156.35 4.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.565 173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -137.79 149.3 46.26 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 119.365 0.984 . . . . 0.0 110.439 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CE1' ' CE1' ' A' ' 79' ' ' PHE . 65.1 m-85 -140.69 163.88 40.11 Favored Pre-proline 0 C--N 1.357 0.901 0 CA-C-O 116.682 -1.627 . . . . 0.0 108.403 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.04 129.87 27.22 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 122.719 2.007 . . . . 0.0 109.983 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 48.88 36.44 8.22 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -168.01 156.64 9.14 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.013 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 99' ' ' GLN . 50.1 t60 -158.84 157.29 31.26 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 120.115 1.325 . . . . 0.0 110.276 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' N ' ' CD2' ' A' ' 98' ' ' HIS . 46.3 tt0 -157.93 156.91 32.12 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.533 175.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.8 p -139.52 151.17 45.92 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 117.897 -1.049 . . . . 0.0 109.293 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -119.53 159.44 24.32 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -161.82 150.11 15.16 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.843 -1.551 . . . . 0.0 109.613 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.4 mm -106.15 135.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.148 -1.406 . . . . 0.0 107.797 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.4 t -142.58 132.21 22.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.913 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.4 41.29 32.18 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-N 120.466 1.485 . . . . 0.0 112.988 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 57.51 41.83 25.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.322 1.061 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -134.25 142.86 47.48 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.39 121.54 29.96 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 103.088 -2.93 . . . . 0.0 103.088 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.56 159.2 26.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -146.32 152.71 39.57 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.048 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -133.12 143.83 38.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.3 t -144.35 156.7 44.36 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.019 1.281 . . . . 0.0 110.738 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 98.9 m -136.59 146.48 46.13 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.25 0.969 . . . . 0.0 109.517 -172.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -160.3 142.55 4.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.81 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 50.86 -129.0 30.42 Favored Glycine 0 C--N 1.353 1.523 0 CA-C-O 117.302 -1.832 . . . . 0.0 109.059 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.61 47.72 1.01 Allowed Glycine 0 C--N 1.356 1.67 0 N-CA-C 108.431 -1.868 . . . . 0.0 108.431 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 75.4 t -142.36 153.37 18.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.333 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 t -146.59 158.89 43.98 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 117.781 -1.104 . . . . 0.0 109.607 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.85 -171.44 3.7 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.215 0.916 . . . . 0.0 110.872 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -158.29 154.74 27.63 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.079 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -139.09 160.51 39.61 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.61 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.5 t -133.88 149.38 30.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.5 t -145.69 145.89 31.06 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.526 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -95.5 117.62 30.73 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.952 -1.499 . . . . 0.0 107.892 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -64.64 134.96 55.39 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.394 1.452 . . . . 0.0 108.158 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.5 mt -98.79 -55.92 2.59 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.752 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 177.063 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . 0.416 H21A ' H12' ' A' ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.638 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 51.19 57.06 7.04 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -152.22 152.64 32.46 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.905 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.77 -173.57 29.59 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.83 153.01 17.93 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.682 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.45 153.06 47.49 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.126 -1.416 . . . . 0.0 108.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -117.2 123.28 46.29 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.005 -1.474 . . . . 0.0 107.516 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 ttm -101.08 136.76 40.41 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.739 1.154 . . . . 0.0 107.889 -175.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -141.16 -60.77 0.49 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.64 -164.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.0 t -104.59 143.68 32.73 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.83 1.195 . . . . 0.0 109.735 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mp0 -145.01 165.86 26.97 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.593 -1.194 . . . . 0.0 109.464 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 142.38 50.28 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 115.891 -2.004 . . . . 0.0 108.112 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 42.12 43.83 2.94 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 121.345 1.884 . . . . 0.0 111.791 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.48 -57.93 5.64 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.324 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -57.25 -43.62 83.17 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 119.393 0.997 . . . . 0.0 111.558 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.43 -51.38 68.96 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 61.4 t80 -57.2 -47.63 80.78 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.221 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -67.66 -43.08 81.09 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 119.153 -0.451 . . . . 0.0 110.359 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -57.62 -48.15 80.21 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 119.651 -0.82 . . . . 0.0 109.004 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.43 -44.06 97.79 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.481 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -51.81 -60.31 3.32 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.185 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.51 69.11 0.07 OUTLIER Glycine 0 C--N 1.35 1.359 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.9 mm -133.79 145.86 32.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m -69.45 160.95 30.44 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.633 1.561 . . . . 0.0 111.438 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t -74.3 -50.49 18.65 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 118.849 0.75 . . . . 0.0 110.546 -175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.28 -42.75 63.98 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.033 0.833 . . . . 0.0 110.542 -177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.01 -32.89 53.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.138 -1.411 . . . . 0.0 109.616 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.99 -52.01 61.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 121.366 1.894 . . . . 0.0 108.429 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.981 -0.687 . . . . 0.0 109.968 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.45 -40.46 85.39 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.137 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.37 96.37 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.169 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -61.01 -51.13 70.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.425 1.012 . . . . 0.0 109.135 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -55.17 -44.27 75.06 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.405 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 68.5 t80 -76.99 142.01 40.13 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.321 -178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 52.1 mtmt -72.23 118.82 15.59 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.1 149.93 8.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.7 t -126.81 148.68 31.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 m -136.77 153.35 50.86 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -150.56 145.86 26.2 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.5 t -143.91 152.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.727 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.42 83.44 1.99 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.5 144.82 50.47 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -153.48 69.8 0.83 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.03 0.832 . . . . 0.0 109.673 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.38 66.1 3.0 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-O 118.401 -1.221 . . . . 0.0 110.52 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 83.22 -27.58 0.11 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.831 -1.557 . . . . 0.0 112.193 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -89.2 159.54 17.41 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.573 1.533 . . . . 0.0 108.802 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 56.5 m-85 -149.53 103.81 3.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.847 -176.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.0 m -82.27 85.94 6.76 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 171.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -84.87 154.82 22.03 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.568 -1.206 . . . . 0.0 107.965 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -148.64 160.63 42.96 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.843 1.201 . . . . 0.0 112.443 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -130.85 161.55 31.56 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -148.92 119.71 7.57 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.25 160.94 30.54 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 121.055 1.752 . . . . 0.0 114.132 -167.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 29.7 m 51.6 69.14 0.7 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.003 0.815 . . . . 0.0 108.853 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.07 30.29 57.53 Favored Glycine 0 C--N 1.35 1.357 0 C-N-CA 119.523 -1.322 . . . . 0.0 109.835 -171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.17 21.85 47.98 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-O 117.281 -1.844 . . . . 0.0 113.949 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 54' ' ' SER . 43.3 m-70 -61.6 132.42 53.26 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.778 2.289 . . . . 0.0 107.436 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.7 m -93.81 148.25 22.31 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.132 0.878 . . . . 0.0 112.082 -170.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.415 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.7 tmm? -134.48 128.9 34.33 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 164.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -119.37 92.91 3.91 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.051 1.296 . . . . 0.0 108.416 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -86.27 152.65 22.6 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -136.8 160.16 39.7 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 39.5 p90 -163.68 164.26 23.99 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.321 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.8 m -118.51 132.41 56.22 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 m -77.19 154.77 5.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.59 6.36 80.89 Favored Glycine 0 C--N 1.351 1.407 0 CA-C-O 116.459 -2.3 . . . . 0.0 111.736 -172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -137.73 162.3 34.25 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 121.039 2.419 . . . . 0.0 109.585 177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.04 145.76 44.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -145.61 152.25 39.38 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.384 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.36 127.58 32.41 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.374 -1.774 . . . . 0.0 107.606 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -116.56 98.88 7.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.09 148.57 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.182 -1.389 . . . . 0.0 108.505 175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 p -135.43 66.66 1.51 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 61.18 171.51 0.1 Allowed 'General case' 0 C--N 1.353 0.754 0 O-C-N 123.676 0.61 . . . . 0.0 110.69 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -55.07 -27.86 47.04 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 117.977 -1.457 . . . . 0.0 112.742 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.9 -46.15 69.16 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 119.585 1.693 . . . . 0.0 111.88 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -159.42 157.76 30.83 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.658 1.729 . . . . 0.0 112.308 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 m -144.45 147.55 33.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.857 -1.068 . . . . 0.0 108.444 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -167.37 170.21 11.67 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.825 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -99.67 158.25 15.9 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.981 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.78 165.61 36.08 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.299 -1.334 . . . . 0.0 110.87 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.8 m -101.42 110.9 22.98 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.9 t -84.96 144.23 10.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -133.29 173.75 11.12 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.5 ttt -143.73 137.31 28.03 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.955 172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.81 63.52 0.92 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.77 -98.35 0.07 OUTLIER Glycine 0 C--N 1.353 1.519 0 CA-C-O 118.688 -1.062 . . . . 0.0 110.658 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -60.67 -48.15 87.64 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 118.707 1.253 . . . . 0.0 111.64 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -92.53 161.5 14.58 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 118.388 1.094 . . . . 0.0 110.809 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 tp -113.54 134.17 54.84 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.5 t -136.77 162.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 119.703 1.138 . . . . 0.0 110.61 -158.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.14 158.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.192 -1.385 . . . . 0.0 109.177 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -133.32 158.08 43.87 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.332 0.969 . . . . 0.0 111.095 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 29.5 m-85 -145.79 162.9 33.98 Favored Pre-proline 0 C--N 1.355 0.846 0 CA-C-O 115.846 -2.026 . . . . 0.0 107.331 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -62.05 126.45 18.77 Favored 'Trans proline' 0 C--N 1.358 1.038 0 CA-C-N 124.543 2.658 . . . . 0.0 110.734 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 49.11 42.76 21.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 118.779 0.718 . . . . 0.0 112.312 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 2.5 t80 -172.99 142.99 1.12 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.202 -1.38 . . . . 0.0 107.582 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -149.43 161.6 41.78 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.988 1.722 . . . . 0.0 110.18 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -152.28 153.14 33.13 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 119.762 1.165 . . . . 0.0 111.863 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 p -135.0 161.59 34.85 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.2 m -142.92 157.03 44.96 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.448 -1.263 . . . . 0.0 107.745 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -155.98 147.42 22.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.787 1.176 . . . . 0.0 110.852 -173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.3 mm -93.59 98.01 7.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.49 104.11 15.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.656 -173.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 57.2 49.63 70.75 Favored Glycine 0 C--N 1.356 1.668 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 t70 73.55 -17.49 0.43 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.704 -1.617 . . . . 0.0 114.164 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -89.0 -178.63 5.75 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.535 1.97 . . . . 0.0 106.611 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.1 tp -130.0 141.84 50.7 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.867 1.212 . . . . 0.0 108.374 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.0 m -136.76 165.6 27.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -138.36 77.34 1.62 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.38 145.16 11.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -153.02 169.99 21.55 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 120.089 1.313 . . . . 0.0 112.43 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 91.1 m -137.81 144.52 41.55 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.661 1.225 . . . . 0.0 108.373 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.77 78.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.81 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.53 -137.78 24.07 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.2 -35.47 83.13 Favored Glycine 0 C--N 1.353 1.478 0 CA-C-N 119.339 1.569 . . . . 0.0 111.034 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 54.5 t -75.29 146.82 8.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 119.059 1.43 . . . . 0.0 109.079 -175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.1 m -140.74 149.95 42.79 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.96 -1.495 . . . . 0.0 107.136 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.457 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -159.24 -177.6 6.58 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.903 1.683 . . . . 0.0 112.171 -176.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -157.87 151.54 23.81 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.534 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -120.34 155.96 32.29 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.8 t -126.29 147.26 31.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.9 t -154.46 140.45 18.31 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.569 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -88.93 163.83 15.41 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -108.19 118.98 38.18 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.5 -58.91 2.4 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.787 0 CA-C-O 121.681 0.753 . . . . 0.0 111.347 178.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 52.46 53.44 12.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.799 0.727 . . . . 0.0 109.567 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.8 m -145.38 152.77 40.39 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.798 -175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -161.4 28.86 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -108.27 153.28 23.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 117.775 0.787 . . . . 0.0 110.386 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -136.43 167.36 21.49 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.535 -1.221 . . . . 0.0 108.146 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -134.51 104.42 6.09 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.497 1.044 . . . . 0.0 108.622 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 ttm -87.74 137.28 32.48 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.151 -0.928 . . . . 0.0 109.943 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -145.95 -58.15 0.31 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.749 -1.12 . . . . 0.0 112.175 -169.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -94.48 144.48 25.53 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.804 1.184 . . . . 0.0 109.477 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -147.1 155.84 42.5 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.372 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 151.64 27.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 116.209 -1.853 . . . . 0.0 107.305 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 30.89 45.63 0.03 OUTLIER 'General case' 0 C--N 1.357 0.918 0 CA-C-N 120.361 1.437 . . . . 0.0 113.55 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -66.4 -55.59 15.1 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.27 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -57.26 -46.04 83.44 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.504 -0.879 . . . . 0.0 111.404 -174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.69 -52.28 58.04 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.734 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -52.05 -47.8 64.91 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.072 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.3 mmt -69.07 -43.22 75.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 119.006 -0.521 . . . . 0.0 110.148 -177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -59.28 -40.37 85.89 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.196 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.21 -45.18 89.38 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -53.58 -31.91 48.79 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.011 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.23 72.9 0.75 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 106.427 -2.669 . . . . 0.0 106.427 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.2 mm -138.56 149.01 24.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -71.2 161.49 31.01 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.761 1.164 . . . . 0.0 111.836 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -73.05 -48.55 35.05 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 120.144 -0.622 . . . . 0.0 109.865 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -54.51 -43.98 72.31 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.919 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -69.9 -32.85 53.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 117.378 -1.296 . . . . 0.0 109.035 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.8 mt -57.64 -52.38 58.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 CA-C-N 120.675 1.58 . . . . 0.0 108.68 174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.18 -52.82 63.99 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.864 0.756 . . . . 0.0 109.702 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.56 -40.14 96.22 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.972 -174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.98 88.47 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.407 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.89 -50.88 70.44 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.24 0.927 . . . . 0.0 108.812 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -54.9 -43.46 73.26 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.131 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 35' ' ' LYS . 82.7 t80 -78.39 145.99 34.85 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.855 -177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CE2' ' A' ' 34' ' ' PHE . 97.4 mttt -76.2 114.13 14.53 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.71 143.66 15.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 -176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.4 t -117.5 147.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.4 m -135.3 151.76 50.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -150.56 146.18 26.41 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.212 -1.375 . . . . 0.0 109.463 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -145.13 149.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.574 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -133.33 88.47 2.49 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 172.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -57.29 152.26 14.36 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.64 0.655 . . . . 0.0 109.911 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -150.25 173.38 14.02 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.353 -1.308 . . . . 0.0 108.341 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.58 100.88 0.03 OUTLIER Glycine 0 C--N 1.355 1.587 0 CA-C-N 120.405 1.457 . . . . 0.0 112.469 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 47.57 41.25 12.98 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 118.955 1.377 . . . . 0.0 110.011 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 13.2 t70 -161.9 161.62 28.87 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-O 117.547 -1.216 . . . . 0.0 109.248 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 22.7 m-85 -151.19 159.4 44.43 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.679 1.127 . . . . 0.0 110.156 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.4 m -127.03 84.81 2.3 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 169.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -80.96 159.43 24.9 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.635 -1.174 . . . . 0.0 108.534 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.2 t -154.08 150.6 28.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.644 1.111 . . . . 0.0 111.444 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -118.36 157.57 26.88 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -141.99 126.01 17.29 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.45 160.39 23.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 121.165 1.802 . . . . 0.0 113.66 -164.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.474 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 68.8 m 50.38 69.31 0.64 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.25 33.71 61.61 Favored Glycine 0 C--N 1.349 1.304 0 C-N-CA 119.358 -1.401 . . . . 0.0 110.146 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.72 16.97 57.04 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.136 -1.924 . . . . 0.0 114.349 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' O ' ' A' ' 54' ' ' SER . 21.6 m-70 -62.26 143.43 56.87 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 121.059 2.43 . . . . 0.0 106.84 174.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.1 m -119.07 154.54 32.99 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.449 1.022 . . . . 0.0 112.42 -162.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -144.71 103.57 3.93 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 170.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 84.8 m -84.31 145.65 28.15 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.39 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -136.22 160.42 38.73 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.3 165.83 28.1 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.2 177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -172.79 153.99 2.83 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.557 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.7 m -105.24 117.75 34.81 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.47 155.51 6.7 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 CA-C-N 120.025 1.284 . . . . 0.0 109.564 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.5 0.87 80.77 Favored Glycine 0 C--N 1.353 1.493 0 CA-C-O 116.547 -2.251 . . . . 0.0 111.769 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -140.04 166.47 24.56 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.883 2.342 . . . . 0.0 109.473 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.72 149.17 32.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.693 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -146.9 164.09 34.03 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.758 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -83.53 125.88 32.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.317 -1.325 . . . . 0.0 108.038 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mm -115.02 152.72 16.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -136.27 165.56 25.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.633 1.106 . . . . 0.0 109.582 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -133.88 51.0 2.16 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 59.32 174.34 0.08 Allowed 'General case' 0 C--N 1.354 0.762 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.487 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -54.97 113.18 3.38 Favored Glycine 0 C--N 1.355 1.631 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.68 -53.12 0.32 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-N 119.242 1.521 . . . . 0.0 110.506 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -160.41 149.34 17.06 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.442 -1.266 . . . . 0.0 109.902 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.2 m -148.74 150.77 33.7 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.807 1.185 . . . . 0.0 110.115 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -168.39 165.53 12.7 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.013 0.824 . . . . 0.0 111.004 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -93.11 161.91 14.24 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.56 166.28 31.13 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.006 -1.473 . . . . 0.0 111.014 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.5 m -108.61 120.34 42.16 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.9 t -95.93 138.42 21.46 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -121.75 163.98 18.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.135 -1.412 . . . . 0.0 107.192 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 23.7 ttt -119.6 103.96 9.86 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -87.32 68.53 9.82 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.95 -114.37 4.02 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.903 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.81 -39.74 69.02 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.02 -1.433 . . . . 0.0 112.52 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.85 159.01 16.0 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.913 1.357 . . . . 0.0 109.894 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.72 130.95 57.05 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.976 -2.601 . . . . 0.0 103.976 172.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -135.93 158.18 38.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.215 1.371 . . . . 0.0 112.164 -159.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.82 157.37 5.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.587 176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -131.96 155.21 48.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.841 0.746 . . . . 0.0 110.548 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 23.9 m-85 -145.46 165.34 21.87 Favored Pre-proline 0 C--N 1.358 0.935 0 CA-C-O 115.886 -2.007 . . . . 0.0 108.328 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.42 124.81 17.0 Favored 'Trans proline' 0 C--N 1.359 1.111 0 CA-C-N 124.458 2.628 . . . . 0.0 112.729 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 46.59 43.28 12.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 119.681 1.128 . . . . 0.0 112.243 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE2' ' CD2' ' A' ' 94' ' ' PHE . 1.5 t80 -172.93 138.28 0.78 Allowed 'General case' 0 C--N 1.352 0.684 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 -177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -153.42 152.55 31.16 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.671 -1.633 . . . . 0.0 109.949 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -141.03 146.13 36.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.987 1.267 . . . . 0.0 109.508 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.7 p -123.76 157.47 33.93 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 170.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -140.89 155.25 46.34 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.395 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -159.48 149.33 18.67 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.766 -1.112 . . . . 0.0 111.034 -172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 25.4 mm -89.5 111.89 23.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.6 t -104.84 82.7 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.485 1.039 . . . . 0.0 108.271 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 63.89 61.96 5.67 Favored Glycine 0 C--N 1.353 1.524 0 C-N-CA 119.982 -1.104 . . . . 0.0 110.615 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.7 t70 60.65 36.47 19.6 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 117.399 0.599 . . . . 0.0 111.343 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -135.28 -174.19 3.55 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 106.06 -1.83 . . . . 0.0 106.06 172.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.09 135.22 20.33 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.81 166.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-N 119.899 1.227 . . . . 0.0 109.809 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -140.78 79.68 1.71 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.67 142.43 14.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.991 -1.48 . . . . 0.0 107.927 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.9 t -155.79 161.11 40.71 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 120.358 1.435 . . . . 0.0 112.856 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.1 m -128.34 143.85 51.06 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.598 -1.191 . . . . 0.0 108.401 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.9 tt -158.48 144.65 7.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 CA-C-O 117.404 -1.284 . . . . 0.0 109.66 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 49.5 -125.63 17.9 Favored Glycine 0 C--N 1.355 1.631 0 CA-C-O 117.277 -1.846 . . . . 0.0 109.646 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.66 47.56 1.02 Allowed Glycine 0 C--N 1.356 1.646 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.9 t -143.88 151.08 16.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.975 -1.012 . . . . 0.0 108.635 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 89.9 m -130.76 149.13 52.55 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -156.87 -173.8 4.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.689 1.131 . . . . 0.0 111.192 -177.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -163.34 146.75 10.49 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.662 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -111.77 151.44 28.99 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.89 145.85 34.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.3 t -152.83 150.49 29.4 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.923 -175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -91.77 157.77 16.72 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -101.44 121.28 41.66 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 35.3 mt -85.96 -50.26 7.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.753 0 CA-C-O 121.724 0.773 . . . . 0.0 109.74 179.337 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.607 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 50.06 58.57 5.32 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.2 m -149.38 153.75 37.88 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.651 -175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.05 -172.24 36.5 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -97.19 152.68 18.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.106 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -142.66 156.98 45.12 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.047 -1.454 . . . . 0.0 108.835 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -120.34 116.0 24.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.66 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttm -95.36 132.27 40.58 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.647 -1.168 . . . . 0.0 109.118 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -143.47 -60.24 0.41 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-O 118.085 -0.959 . . . . 0.0 111.601 -171.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -82.49 142.03 32.2 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.817 1.19 . . . . 0.0 109.457 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -147.67 167.43 24.64 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.122 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 128.38 25.07 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 116.811 -1.566 . . . . 0.0 108.883 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 49.58 42.82 23.59 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.457 1.481 . . . . 0.0 110.82 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -65.7 -52.01 54.82 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.673 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -59.44 -47.4 85.61 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.369 -0.933 . . . . 0.0 111.346 -174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.82 -51.74 65.86 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -52.27 -49.29 64.39 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.605 -177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.9 mmt -66.86 -37.64 84.81 Favored 'General case' 0 CA--C 1.508 -0.637 0 C-N-CA 119.887 -0.725 . . . . 0.0 109.961 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -60.09 -43.04 95.83 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.203 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.49 -43.39 94.29 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -52.45 -47.54 66.36 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.19 76.82 0.56 Allowed Glycine 0 C--N 1.355 1.603 0 N-CA-C 107.002 -2.439 . . . . 0.0 107.002 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.36 149.21 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.944 -1.027 . . . . 0.0 108.693 -172.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m -71.85 139.37 48.85 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.659 1.118 . . . . 0.0 111.006 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -55.73 -45.02 78.07 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.146 0.884 . . . . 0.0 111.453 -174.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -54.23 -46.07 72.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.276 -0.969 . . . . 0.0 110.553 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.6 -26.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.405 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.92 -56.34 16.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 120.513 1.506 . . . . 0.0 107.085 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.31 -49.15 70.55 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.249 -174.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -55.07 -41.86 72.05 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.0 -45.02 95.46 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 117.811 -1.09 . . . . 0.0 111.058 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -59.78 -52.21 66.46 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.984 1.265 . . . . 0.0 109.441 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -57.01 -45.77 82.82 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.539 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.38 144.33 54.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.627 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -79.19 111.28 15.26 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.45 144.15 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.87 143.47 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -130.18 150.07 51.6 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 -177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -151.47 146.95 26.28 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.497 -1.24 . . . . 0.0 108.289 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.6 t -145.0 151.99 14.99 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.393 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -134.68 88.58 2.45 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 171.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -62.41 145.47 53.93 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 119.183 -1.007 . . . . 0.0 109.763 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.96 172.8 12.13 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.76 103.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.586 0 CA-C-N 120.416 1.462 . . . . 0.0 113.198 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 50.94 39.0 21.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.056 1.428 . . . . 0.0 109.954 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 22.9 t70 -160.78 160.64 31.49 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 116.869 -1.539 . . . . 0.0 108.283 -175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 39.5 m-85 -150.58 157.82 43.43 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.528 1.513 . . . . 0.0 111.113 -171.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.0 m -131.51 86.57 2.37 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 172.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.416 ' CH2' ' O3 ' ' A' ' 128' ' ' TCH . 7.1 t-105 -74.99 163.32 27.74 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.704 -1.141 . . . . 0.0 108.879 -175.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.3 t -148.86 152.15 35.96 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.102 0.865 . . . . 0.0 110.181 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -137.57 159.41 42.03 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -148.35 132.85 17.67 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.127 -1.892 . . . . 0.0 106.706 177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -161.88 156.33 22.39 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.619 2.009 . . . . 0.0 113.392 -168.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 74.7 m 47.86 77.35 0.09 Allowed 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.795 0.685 . . . . 0.0 109.906 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.21 23.93 74.67 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.03 59.57 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-O 117.477 -1.735 . . . . 0.0 113.5 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 54' ' ' SER . 55.2 m-70 -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.435 2.117 . . . . 0.0 106.48 175.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.2 m -92.13 145.03 24.84 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.027 1.285 . . . . 0.0 111.449 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 1.1 tmt? -136.7 151.71 49.56 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.8 m -140.99 151.38 44.09 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.611 1.096 . . . . 0.0 109.855 -174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.32 159.8 42.87 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.64 167.61 21.74 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -171.75 152.46 3.09 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.259 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.3 m -104.53 117.28 33.74 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.27 148.31 9.61 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-N 120.281 1.401 . . . . 0.0 108.905 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.93 -51.17 2.54 Favored Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.98 158.49 20.48 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.93 1.365 . . . . 0.0 109.423 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.49 151.75 34.47 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.755 -1.117 . . . . 0.0 108.634 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.3 t -141.77 153.2 44.41 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.563 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.0 128.17 33.47 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.766 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.1 mm -116.28 151.49 18.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-O 117.459 -1.257 . . . . 0.0 108.298 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -134.51 166.98 21.64 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.373 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 p -127.8 51.85 1.91 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 74' ' ' MET . 2.0 mpt? 60.31 176.68 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -171.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -56.22 108.56 1.18 Allowed Glycine 0 C--N 1.354 1.559 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 175.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.24 -53.35 0.2 Allowed Glycine 0 C--N 1.354 1.554 0 CA-C-N 119.524 1.662 . . . . 0.0 111.906 -176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -160.88 154.31 21.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.72 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.7 m -149.78 150.69 32.4 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 119.514 1.052 . . . . 0.0 111.475 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -169.4 165.47 10.59 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.301 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.87 154.38 18.26 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.58 160.43 17.6 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.575 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.4 m -110.26 131.54 54.96 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.558 -1.21 . . . . 0.0 108.929 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 t -99.71 147.36 7.45 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -134.78 163.46 29.75 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 116.916 -1.516 . . . . 0.0 107.761 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 ttt -132.96 106.32 7.61 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.242 1.383 . . . . 0.0 109.612 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -95.49 71.49 3.15 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.44 -127.53 43.77 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 118.126 -1.375 . . . . 0.0 110.426 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.82 -34.61 37.57 Favored Glycine 0 C--N 1.353 1.526 0 CA-C-O 117.774 -1.57 . . . . 0.0 113.529 -175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -87.43 157.46 19.21 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.539 1.67 . . . . 0.0 109.302 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.74 88.65 2.96 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 103.678 -2.712 . . . . 0.0 103.678 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.5 t -84.54 162.59 2.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 118.079 -0.962 . . . . 0.0 109.917 -166.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 p -161.62 158.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.827 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -140.55 158.16 44.4 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.661 -1.161 . . . . 0.0 109.532 173.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.257 74.9 m-85 -140.1 163.01 47.0 Favored Pre-proline 0 C--N 1.355 0.838 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.927 -174.168 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 113.71 0.92 Allowed 'Trans proline' 0 C--N 1.356 0.942 0 CA-C-N 121.908 1.717 . . . . 0.0 110.461 162.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 69.18 14.36 8.65 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 116.244 1.942 . . . . 0.0 116.244 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.1 p90 -157.49 167.07 31.28 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 122.239 2.29 . . . . 0.0 111.813 172.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -142.31 160.05 41.02 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-O 117.677 -1.154 . . . . 0.0 110.974 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.42 159.35 37.26 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.793 1.179 . . . . 0.0 111.286 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 76.6 p -133.66 107.09 7.74 Favored 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -82.76 137.48 34.36 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -143.47 161.97 37.03 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.407 1.003 . . . . 0.0 109.419 -175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 40.3 mm -101.93 127.03 55.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t -128.3 85.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-N 119.5 1.045 . . . . 0.0 108.267 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 65.25 59.74 7.54 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 109.898 -1.281 . . . . 0.0 109.898 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 57.69 40.3 26.63 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 117.273 0.536 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -129.94 173.42 10.71 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 171.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.2 tp -134.77 104.34 5.98 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.6 m -101.68 164.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.398 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -140.87 80.21 1.74 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.2 t -81.03 101.76 6.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.002 -1.475 . . . . 0.0 107.237 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.5 t -102.64 149.49 24.38 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.926 1.239 . . . . 0.0 110.658 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 90.1 m -120.91 143.72 48.8 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.276 -1.345 . . . . 0.0 107.7 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.54 152.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-O 117.64 -1.171 . . . . 0.0 110.199 -176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.08 -110.5 1.33 Allowed Glycine 0 C--N 1.355 1.609 0 CA-C-O 117.635 -1.647 . . . . 0.0 109.644 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -135.87 42.76 1.3 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.088 1.444 . . . . 0.0 109.92 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.8 m -146.26 167.6 7.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.273 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.4 m -127.44 148.51 50.29 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -145.04 176.1 9.75 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -178.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -160.36 151.92 19.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 119.209 -0.996 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -123.21 154.86 38.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 169.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.21 144.62 37.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 t -145.06 152.77 40.62 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.31 -1.329 . . . . 0.0 109.416 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 144.68 39.93 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -176.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -83.34 127.58 33.79 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.031 -174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.6 mt -89.48 -50.57 6.02 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.794 0 CA-C-O 121.522 0.677 . . . . 0.0 109.571 -178.813 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . 0.416 ' O3 ' ' CH2' ' A' ' 49' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 59.94 48.72 8.49 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -144.24 149.96 37.17 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 117.702 -1.142 . . . . 0.0 108.452 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.65 -170.89 22.43 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -98.04 153.48 18.37 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.128 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -141.16 164.93 28.92 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.642 -1.17 . . . . 0.0 109.355 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -128.87 91.47 3.22 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 119.272 0.942 . . . . 0.0 108.723 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.08 140.62 54.85 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.766 -1.111 . . . . 0.0 108.623 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -158.73 -52.1 0.06 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-N 120.709 1.595 . . . . 0.0 114.409 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 t -84.23 145.77 28.15 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.761 2.073 . . . . 0.0 108.186 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.05 147.0 30.19 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.568 -1.206 . . . . 0.0 111.279 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -120.0 148.08 44.0 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.3 m120 44.16 36.01 1.38 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.806 1.184 . . . . 0.0 112.464 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.32 -63.38 1.11 Allowed 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.376 -0.93 . . . . 0.0 111.779 -170.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -58.87 -43.09 90.82 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.323 0.965 . . . . 0.0 111.533 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -66.68 -52.63 42.59 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.234 0.925 . . . . 0.0 109.314 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -53.93 -46.47 71.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -66.4 -43.27 86.27 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 120.43 -0.508 . . . . 0.0 109.774 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -58.12 -40.81 82.2 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.258 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.6 mt -67.51 -42.18 83.23 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.55 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 tp -53.69 -32.18 50.77 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.221 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.13 72.38 0.86 Allowed Glycine 0 C--N 1.354 1.553 0 N-CA-C 106.195 -2.762 . . . . 0.0 106.195 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -134.73 147.92 29.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -171.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 m -69.98 159.98 32.77 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 119.038 0.835 . . . . 0.0 111.332 -174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.7 t -71.69 -47.06 56.62 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.74 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 110.785 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 m -71.04 -36.2 62.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 108.953 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.12 -51.98 62.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 120.535 1.516 . . . . 0.0 108.065 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -57.72 -53.44 58.2 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.898 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.41 -46.96 77.95 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.315 -173.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.68 -48.62 66.4 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.398 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -60.27 -42.21 94.9 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.961 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -86.75 50.68 2.05 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.338 0.972 . . . . 0.0 110.694 177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -168.69 124.8 0.96 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-O 116.76 -1.591 . . . . 0.0 109.087 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.58 120.13 11.79 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 121.424 1.92 . . . . 0.0 106.028 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -75.68 130.79 35.89 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 105.594 -2.002 . . . . 0.0 105.594 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.48 151.29 6.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 105.139 -2.171 . . . . 0.0 105.139 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -141.91 153.58 44.49 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.898 -1.049 . . . . 0.0 108.657 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -148.52 146.09 28.18 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.122 -1.418 . . . . 0.0 108.851 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.92 148.17 20.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.239 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -134.27 79.87 1.83 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.83 149.58 22.14 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -140.9 65.82 1.39 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.16 71.75 0.58 Allowed Glycine 0 C--N 1.354 1.576 0 CA-C-O 117.823 -1.543 . . . . 0.0 111.418 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 81.77 -41.95 0.14 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.691 -1.147 . . . . 0.0 111.099 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -75.63 158.71 32.05 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.106 1.321 . . . . 0.0 107.757 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CG ' ' CZ ' ' A' ' 63' ' ' PHE . 33.8 m-85 -139.89 153.18 46.93 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.399 1.0 . . . . 0.0 110.263 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.2 m -133.91 82.48 1.98 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -88.51 156.66 18.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.561 -1.209 . . . . 0.0 108.997 -171.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.1 m -147.51 161.61 40.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.803 1.183 . . . . 0.0 110.581 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -138.76 160.1 40.49 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 118.345 -0.836 . . . . 0.0 108.76 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -144.77 122.77 12.05 Favored 'General case' 0 C--N 1.354 0.801 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -159.17 160.89 36.03 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.955 1.707 . . . . 0.0 112.253 -164.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 49.1 m 46.99 79.48 0.06 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.821 0.7 . . . . 0.0 110.65 177.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.89 21.66 78.19 Favored Glycine 0 C--N 1.35 1.356 0 C-N-CA 119.294 -1.431 . . . . 0.0 110.57 -172.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.73 22.66 64.42 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-O 117.415 -1.77 . . . . 0.0 113.08 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 54' ' ' SER . 47.0 m-70 -64.05 140.23 58.85 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.465 2.133 . . . . 0.0 106.802 176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 56.8 m -98.45 148.37 23.78 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.446 1.021 . . . . 0.0 111.466 -170.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.9 ttp -132.0 142.75 49.69 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.0 m -107.25 146.9 30.87 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -140.16 161.8 36.78 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.76 160.1 37.5 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.006 0.821 . . . . 0.0 109.975 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.422 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 50.3 p90 -177.32 168.56 2.3 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.523 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -128.07 141.71 51.42 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 171.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -78.34 153.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.17 19.22 65.87 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 117.224 -1.875 . . . . 0.0 111.244 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -148.75 145.17 27.5 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 120.319 2.06 . . . . 0.0 109.166 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -76.79 146.45 37.85 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.277 0.944 . . . . 0.0 109.797 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -140.9 160.51 39.91 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.918 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -77.53 125.02 28.67 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.76 152.93 18.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -137.52 164.52 28.51 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.635 -1.174 . . . . 0.0 109.382 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.0 p -121.47 57.64 1.01 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mpt? 64.41 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.35 0.607 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.87 67.1 0.25 Allowed Glycine 0 C--N 1.352 1.453 0 CA-C-N 119.93 1.241 . . . . 0.0 110.868 -173.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -157.64 -80.72 0.03 OUTLIER Glycine 0 C--N 1.352 1.449 0 N-CA-C 108.921 -1.671 . . . . 0.0 108.921 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -106.23 154.26 20.97 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 117.797 0.798 . . . . 0.0 108.929 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -141.59 151.46 43.18 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.032 -0.985 . . . . 0.0 108.404 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.86 164.27 23.51 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.24 0.927 . . . . 0.0 110.906 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -91.39 146.82 23.49 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.8 163.1 29.64 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 117.701 -1.143 . . . . 0.0 110.468 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -116.25 134.17 55.21 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.885 -1.055 . . . . 0.0 108.837 -175.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.62 149.76 5.59 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -135.71 157.43 46.88 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.185 -1.388 . . . . 0.0 107.884 -176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 15.5 ttt -129.06 80.2 1.96 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.795 1.18 . . . . 0.0 108.233 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -79.06 87.72 4.83 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.39 -146.11 43.54 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.22 -20.99 59.03 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-O 117.204 -1.887 . . . . 0.0 113.362 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -79.99 155.33 27.69 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.673 2.236 . . . . 0.0 109.022 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.2 tp -112.71 76.31 0.97 Allowed 'General case' 0 C--N 1.354 0.772 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -66.29 158.34 5.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.535 -172.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 p -155.58 155.28 5.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 119.339 0.972 . . . . 0.0 109.868 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -141.34 154.44 45.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.142 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 31.5 m-85 -135.93 154.62 77.84 Favored Pre-proline 0 C--N 1.357 0.897 0 CA-C-O 115.745 -2.074 . . . . 0.0 107.753 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.82 76.17 2.51 Favored 'Trans proline' 0 C--N 1.358 1.045 0 CA-C-N 123.196 2.177 . . . . 0.0 109.302 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 162.21 -47.11 0.0 OUTLIER 'General case' 0 C--N 1.357 0.892 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.635 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 94' ' ' PHE . 14.2 p90 -144.53 -177.55 5.54 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.786 -172.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -144.3 148.81 35.31 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.738 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -141.76 158.04 44.29 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.623 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -126.4 109.68 12.49 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -84.27 141.88 30.64 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.65 158.42 44.12 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.733 1.151 . . . . 0.0 110.776 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.34 136.17 49.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.8 t -143.01 122.98 9.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.52 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.29 47.44 55.97 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 120.392 1.451 . . . . 0.0 112.409 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.58 43.89 27.55 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 118.166 0.983 . . . . 0.0 111.092 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.61 159.74 42.69 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 tp -104.18 149.91 24.85 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.13 149.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-O 117.477 -1.249 . . . . 0.0 108.368 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -132.82 154.7 50.05 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.322 -1.323 . . . . 0.0 108.962 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.6 t -138.26 138.68 42.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 116.338 -1.791 . . . . 0.0 106.872 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.9 t -151.41 174.95 12.75 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 120.931 1.696 . . . . 0.0 113.346 -174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.4 m -154.2 145.28 22.76 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 117.585 -1.197 . . . . 0.0 109.002 -175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.5 tt -162.48 149.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.18 -1.39 . . . . 0.0 109.485 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.03 -97.6 0.03 OUTLIER Glycine 0 C--N 1.355 1.599 0 CA-C-O 118.206 -1.33 . . . . 0.0 109.839 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.22 47.4 0.66 Allowed Glycine 0 C--N 1.355 1.621 0 CA-C-N 118.776 1.288 . . . . 0.0 110.699 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.71 161.78 16.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 109.656 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.0 m -110.37 160.13 16.84 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -150.8 164.73 35.51 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 119.393 0.997 . . . . 0.0 110.654 -176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -168.94 154.24 6.12 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.747 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -145.11 144.73 31.08 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.495 -1.716 . . . . 0.0 108.4 167.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.0 t -109.18 152.3 11.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.5 t -144.91 140.42 28.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.703 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -86.19 158.06 19.84 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.115 -1.421 . . . . 0.0 107.804 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -103.3 130.01 50.46 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 170.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.8 mt -92.3 -56.25 3.12 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.524 1.056 . . . . 0.0 108.195 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.729 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.076 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 52.23 56.43 7.74 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 87.9 m -155.2 150.42 27.0 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.728 -1.129 . . . . 0.0 109.213 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.89 -163.78 17.29 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.5 -1.166 . . . . 0.0 110.953 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -104.07 163.8 12.14 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -153.03 146.28 24.78 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.946 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -113.93 83.97 1.95 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.587 1.085 . . . . 0.0 108.586 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.0 tpp -66.89 102.07 0.92 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.262 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -137.14 28.03 2.85 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 120.027 1.285 . . . . 0.0 114.01 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 t -159.05 128.12 5.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.445 1.475 . . . . 0.0 109.58 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -149.3 169.34 21.02 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.121 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -138.06 150.28 46.77 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 116.84 -1.552 . . . . 0.0 108.874 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.8 m120 44.41 42.18 5.19 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 110.579 -177.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -72.24 -52.18 17.58 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.574 -0.727 . . . . 0.0 109.381 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -60.64 -42.4 96.86 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.361 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -60.79 -49.1 78.85 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.253 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' CD2' ' CD1' ' A' ' 119' ' ' TYR . 58.0 t80 -61.38 -47.75 84.39 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.473 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.0 mmt -68.09 -35.9 78.92 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.038 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.72 -45.83 90.96 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.091 0.859 . . . . 0.0 108.878 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.88 -41.55 91.43 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.59 -38.02 68.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.706 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.9 76.02 0.94 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.722 -2.151 . . . . 0.0 107.722 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.0 mm -135.03 150.24 29.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.3 t -70.93 135.08 47.73 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.663 1.12 . . . . 0.0 109.951 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.3 t -53.31 -45.96 69.2 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.53 1.059 . . . . 0.0 112.016 -173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -52.22 -46.74 65.79 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.492 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -75.5 -25.41 17.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.319 -177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.33 -54.07 37.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 CA-C-N 120.968 1.713 . . . . 0.0 106.607 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -64.65 -47.48 78.31 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.678 -172.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.46 92.37 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.646 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -61.47 -52.95 62.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.237 0.926 . . . . 0.0 109.533 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -59.34 -43.53 92.73 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.809 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -69.49 144.35 53.24 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.923 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.46 114.95 19.72 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.8 mt -70.02 141.12 17.52 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.37 153.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.5 m -148.02 153.95 39.63 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.56 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -140.53 149.87 43.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.451 -1.261 . . . . 0.0 108.728 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.1 t -143.2 149.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 117.61 -1.186 . . . . 0.0 109.81 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -140.17 82.73 1.88 Allowed 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -57.28 152.4 14.06 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.771 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.05 64.59 0.5 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 118.74 0.7 . . . . 0.0 110.835 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.75 77.03 0.19 Allowed Glycine 0 C--N 1.353 1.482 0 C-N-CA 119.943 -1.122 . . . . 0.0 111.212 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 3.0 mp0 57.56 29.41 17.1 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 117.855 0.827 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 20.7 t70 -154.26 156.23 36.64 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.602 175.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 46' ' ' ASP . 15.0 m-85 -150.82 145.37 25.66 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.254 1.388 . . . . 0.0 110.29 -172.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.3 m -106.75 147.45 29.62 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 161.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -142.36 151.27 41.73 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-O 117.063 -1.446 . . . . 0.0 107.673 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -143.2 157.8 44.18 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 119.876 1.216 . . . . 0.0 110.087 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -128.95 157.1 42.57 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -143.51 120.3 11.23 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -160.85 156.73 25.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.028 1.74 . . . . 0.0 112.884 -164.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 70.7 m 50.17 75.42 0.17 Allowed 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.744 0.653 . . . . 0.0 109.342 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.37 72.15 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 119.249 -1.453 . . . . 0.0 110.325 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.71 21.17 62.66 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 117.273 -1.848 . . . . 0.0 113.549 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 54' ' ' SER . 32.6 m-70 -61.64 144.38 54.59 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.801 2.301 . . . . 0.0 106.63 174.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.3 m -118.97 152.53 36.2 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.635 1.107 . . . . 0.0 112.761 -164.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 ttp -133.2 155.65 48.94 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 167.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.7 m -132.47 79.65 1.86 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -79.93 160.01 26.13 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.471 -0.891 . . . . 0.0 109.436 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -159.07 156.26 28.89 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.064 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 37.6 p90 -169.46 168.2 9.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.254 -172.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.5 m -117.52 133.3 56.11 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.2 m -75.15 157.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 119.623 1.101 . . . . 0.0 108.864 -175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.79 6.46 63.39 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-O 116.467 -2.296 . . . . 0.0 112.037 -174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -138.19 162.79 33.36 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.028 2.414 . . . . 0.0 109.05 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -78.09 147.29 34.74 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.604 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -142.66 145.67 33.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 116.97 -1.49 . . . . 0.0 107.556 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -82.83 131.57 35.19 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.039 -1.458 . . . . 0.0 107.283 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.8 mm -126.1 157.97 35.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 119.256 0.935 . . . . 0.0 108.816 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -144.45 165.96 26.48 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.019 171.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.8 p -111.5 68.37 0.66 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpt? 56.63 54.32 7.49 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.55 32.24 23.49 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.76 -1.022 . . . . 0.0 111.683 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.44 -60.09 0.91 Allowed Glycine 0 C--N 1.354 1.558 0 N-CA-C 108.353 -1.899 . . . . 0.0 108.353 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -133.34 106.49 7.55 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m -78.73 140.31 38.32 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.583 1.083 . . . . 0.0 108.994 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.35 163.44 37.3 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.329 171.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -95.34 160.04 14.72 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.27 162.92 36.02 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.598 -1.192 . . . . 0.0 110.095 -175.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.8 m -120.5 109.95 15.9 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 169.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -84.23 143.92 10.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -135.22 161.36 35.58 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -132.47 104.46 6.71 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 119.319 0.963 . . . . 0.0 109.794 -174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -102.94 64.24 0.85 Allowed 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.42 -102.72 0.09 OUTLIER Glycine 0 C--N 1.355 1.591 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.655 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.27 -40.26 60.03 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 118.081 -1.399 . . . . 0.0 112.292 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -102.37 164.37 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.498 1.149 . . . . 0.0 110.477 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 57.4 tp -119.52 81.75 1.77 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 102.679 -3.082 . . . . 0.0 102.679 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.15 159.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.359 -167.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -156.22 155.74 5.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.848 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.64 163.6 30.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.079 0.854 . . . . 0.0 110.001 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 18.4 m-85 -143.02 151.34 55.72 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-O 115.781 -2.056 . . . . 0.0 108.053 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -75.11 76.3 3.49 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.336 2.227 . . . . 0.0 109.027 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 164.39 -47.09 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 123.578 0.549 . . . . 0.0 109.929 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.448 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 8.9 p90 -147.91 -174.41 4.55 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.506 -1.235 . . . . 0.0 109.83 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -147.09 152.28 38.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.324 -1.322 . . . . 0.0 111.222 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -145.16 158.91 43.7 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.379 0.991 . . . . 0.0 109.201 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.9 p -129.36 121.61 27.79 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.4 -1.762 . . . . 0.0 106.574 168.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.3 m -88.35 146.98 24.98 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -146.86 166.95 25.16 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.512 1.051 . . . . 0.0 110.746 -167.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.4 mm -132.41 128.09 57.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.65 135.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-O 117.089 -1.434 . . . . 0.0 109.194 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.57 47.32 3.81 Favored Glycine 0 C--N 1.354 1.566 0 CA-C-N 120.492 1.496 . . . . 0.0 113.697 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.02 50.63 8.01 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.289 1.044 . . . . 0.0 110.853 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -143.44 167.79 21.37 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.028 -0.987 . . . . 0.0 108.496 176.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.66 118.99 33.15 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 172.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.01 145.37 31.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -131.08 151.16 51.73 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 117.006 -1.473 . . . . 0.0 107.387 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.8 t -137.02 135.83 47.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 116.342 -1.789 . . . . 0.0 107.554 -176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 46.7 t -145.5 162.76 36.62 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.651 1.569 . . . . 0.0 112.974 -174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 56.0 m -131.11 143.81 50.93 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.354 -1.308 . . . . 0.0 107.483 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -160.14 149.12 6.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.27 -1.348 . . . . 0.0 109.476 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.11 -98.99 0.05 OUTLIER Glycine 0 C--N 1.355 1.607 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.59 46.83 0.67 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.653 1.227 . . . . 0.0 110.403 175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.7 m -144.29 170.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.334 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.3 m -133.72 151.03 51.52 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.835 -1.079 . . . . 0.0 108.195 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.436 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -157.52 178.42 10.31 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.655 1.116 . . . . 0.0 110.314 -177.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.55 169.11 23.6 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.671 -0.812 . . . . 0.0 111.293 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -140.44 153.54 46.32 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 116.332 -1.794 . . . . 0.0 108.06 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -137.69 148.52 25.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-N 120.741 1.61 . . . . 0.0 109.964 -175.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -133.8 161.1 35.65 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 118.455 -0.784 . . . . 0.0 111.795 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -97.98 125.13 42.77 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 172.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.65 132.64 43.98 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.834 1.652 . . . . 0.0 106.574 177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.3 mt -94.75 -57.56 2.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.512 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 53.08 54.68 9.99 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.3 m -147.62 149.05 31.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.699 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -172.17 47.09 Favored Glycine 0 C--N 1.354 1.543 0 CA-C-O 118.671 -1.072 . . . . 0.0 111.266 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -85.33 160.21 19.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 117.586 0.693 . . . . 0.0 112.383 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -150.2 110.37 4.16 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.312 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -78.76 86.33 4.71 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.027 1.285 . . . . 0.0 109.425 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 tpp -61.86 136.14 57.86 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 116.874 -1.536 . . . . 0.0 106.862 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -153.15 -44.95 0.1 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.369 -1.777 . . . . 0.0 115.079 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -100.18 130.75 46.35 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 122.222 2.283 . . . . 0.0 108.822 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mp0 -145.04 170.66 15.74 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.169 -1.396 . . . . 0.0 108.059 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -132.8 161.34 34.37 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 116.074 -1.917 . . . . 0.0 108.476 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 44.95 44.1 7.73 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 121.358 1.89 . . . . 0.0 111.449 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -71.51 -60.11 2.41 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.156 -174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -59.6 -39.18 83.34 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.439 -0.905 . . . . 0.0 110.167 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -64.03 -50.9 66.64 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.583 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -57.48 -46.9 83.19 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.685 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.3 mmt -65.6 -46.44 79.35 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.705 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -50.87 -46.62 60.42 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.573 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 mt -68.68 -38.89 80.69 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.837 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.6 tp -55.45 -29.85 59.43 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.557 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.75 72.62 0.85 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 106.779 -2.528 . . . . 0.0 106.779 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -140.87 151.65 20.35 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.146 -168.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 t -77.5 164.36 25.48 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.762 1.165 . . . . 0.0 112.066 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.9 t -73.27 -48.79 31.82 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.362 -0.827 . . . . 0.0 110.37 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -52.67 -44.35 66.14 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.438 1.017 . . . . 0.0 110.825 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -69.72 -34.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-O 117.535 -1.221 . . . . 0.0 109.382 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.74 -54.15 37.53 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-N 120.411 1.46 . . . . 0.0 107.817 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.24 -51.67 67.25 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.303 -174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.97 -44.68 96.98 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.252 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.03 98.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.058 -0.972 . . . . 0.0 111.084 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -63.05 -50.95 68.62 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.622 1.101 . . . . 0.0 108.864 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -55.33 -41.91 73.06 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.993 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -79.97 158.01 26.69 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.663 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -97.07 117.62 31.66 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -71.09 104.48 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.47 90.71 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -65.24 145.75 55.83 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -140.1 147.41 40.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.901 -1.523 . . . . 0.0 108.099 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.41 152.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-N 119.823 1.192 . . . . 0.0 110.866 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -134.22 78.5 1.76 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -55.96 147.89 18.59 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.449 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -150.95 63.76 0.91 Allowed 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.029 0.831 . . . . 0.0 110.395 -173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 52.64 71.54 0.66 Allowed Glycine 0 C--N 1.355 1.625 0 CA-C-O 118.087 -1.396 . . . . 0.0 111.392 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 82.87 -39.91 0.1 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.817 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.37 157.94 26.17 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.849 1.204 . . . . 0.0 108.287 171.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 42.9 m-85 -144.82 98.26 3.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.499 -1.239 . . . . 0.0 107.74 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 65.3 m -78.06 87.22 4.2 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 11.6 t-105 -86.5 157.41 19.78 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.55 -1.214 . . . . 0.0 108.534 -174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.9 m -144.33 161.49 38.83 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.631 1.105 . . . . 0.0 111.832 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -139.77 122.16 16.07 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 116.576 -1.678 . . . . 0.0 107.115 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -103.41 124.12 48.13 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 171.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.28 157.17 41.0 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.254 1.843 . . . . 0.0 112.142 -169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 51.4 m 44.28 81.53 0.03 OUTLIER 'General case' 0 C--N 1.357 0.917 0 CA-C-N 118.752 0.705 . . . . 0.0 111.496 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.99 77.04 Favored Glycine 0 C--N 1.35 1.36 0 C-N-CA 119.164 -1.494 . . . . 0.0 110.311 -173.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.64 23.88 61.35 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-O 117.481 -1.733 . . . . 0.0 113.499 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 54' ' ' SER . 41.4 m-70 -62.19 141.3 58.27 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.474 2.137 . . . . 0.0 106.315 174.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -103.8 145.52 29.97 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.024 1.284 . . . . 0.0 111.357 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.1 ttp -131.35 149.1 52.68 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 165.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.4 m -126.28 82.88 2.11 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.42 159.85 33.3 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 119.158 -1.017 . . . . 0.0 108.508 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -151.98 150.56 30.13 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.089 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 47' ' ' PHE . 51.9 p90 -167.6 170.64 10.94 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.152 -175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -122.74 139.07 54.38 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.3 154.35 5.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.33 6.03 64.39 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.016 -1.991 . . . . 0.0 111.416 -172.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -142.09 166.52 24.48 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.496 2.148 . . . . 0.0 108.745 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -89.67 161.95 15.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.727 0.694 . . . . 0.0 110.071 -177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.2 t -155.5 145.56 21.61 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.408 -1.282 . . . . 0.0 108.735 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -75.6 100.0 4.47 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.3 mm -87.22 150.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.942 -1.027 . . . . 0.0 108.652 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -134.05 162.66 31.47 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.36 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.1 p -114.12 69.91 0.72 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 56.21 54.34 7.89 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.75 31.42 16.05 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 117.941 -1.477 . . . . 0.0 112.991 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.24 -118.91 4.54 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 104.933 -3.267 . . . . 0.0 104.933 176.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.14 146.79 41.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.615 1.707 . . . . 0.0 107.338 171.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.4 m -136.95 150.04 47.93 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.495 1.043 . . . . 0.0 110.073 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -166.74 166.02 16.06 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.558 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.85 159.25 18.47 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 172.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.5 154.11 44.22 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 116.953 -1.499 . . . . 0.0 108.944 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -104.22 107.38 18.26 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 171.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 t -87.75 143.46 11.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -140.67 161.06 38.67 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.48 -1.248 . . . . 0.0 108.78 -174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 ttt -129.49 74.39 1.58 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.99 154.52 17.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.801 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 51.74 -144.17 17.11 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-O 117.927 -1.485 . . . . 0.0 109.968 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.74 50.81 0.89 Allowed Glycine 0 C--N 1.356 1.654 0 N-CA-C 108.0 -2.04 . . . . 0.0 108.0 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -143.35 163.53 32.77 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.389 -176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.0 tp -108.04 77.83 1.14 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -69.34 155.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 CA-C-O 118.192 -0.908 . . . . 0.0 109.862 -172.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.1 p -160.85 156.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.839 -1.077 . . . . 0.0 110.258 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -140.8 164.13 31.06 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.133 0.878 . . . . 0.0 110.25 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 33.5 m-85 -142.92 153.14 60.38 Favored Pre-proline 0 C--N 1.356 0.866 0 CA-C-O 115.939 -1.982 . . . . 0.0 108.643 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.03 76.67 2.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.003 2.108 . . . . 0.0 109.272 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 160.89 -46.96 0.0 OUTLIER 'General case' 0 C--N 1.357 0.893 0 O-C-N 123.665 0.603 . . . . 0.0 110.01 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' CD2' ' A' ' 94' ' ' PHE . 7.8 p90 -144.93 -177.56 5.59 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.81 -1.09 . . . . 0.0 110.931 -172.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -142.63 154.98 44.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.222 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -147.19 158.13 43.84 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.177 0.898 . . . . 0.0 109.191 173.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -132.92 111.54 11.13 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 106.071 -1.825 . . . . 0.0 106.071 168.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.4 m -84.96 143.63 28.84 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -148.28 158.34 44.03 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.204 -170.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 46.5 mm -115.95 130.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.17 137.82 21.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 120.108 1.322 . . . . 0.0 108.883 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.17 41.07 10.92 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 120.184 1.356 . . . . 0.0 113.327 176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.27 50.93 9.0 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.525 1.162 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -142.17 157.41 44.9 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.896 -1.526 . . . . 0.0 107.675 174.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.3 tp -100.06 118.51 36.59 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 167.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.4 144.34 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -135.52 156.48 48.81 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.582 -1.199 . . . . 0.0 108.333 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -134.18 146.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.6 t -159.52 168.94 24.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 120.209 1.368 . . . . 0.0 111.937 -171.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 96.8 m -153.81 147.59 25.34 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.272 -1.346 . . . . 0.0 108.961 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -159.35 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-O 117.15 -1.405 . . . . 0.0 109.657 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.31 -98.45 0.03 OUTLIER Glycine 0 C--N 1.356 1.643 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -147.17 46.07 0.74 Allowed Glycine 0 C--N 1.356 1.641 0 CA-C-N 118.659 1.229 . . . . 0.0 110.58 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.88 156.61 14.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.634 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 40.5 m -98.67 157.39 16.29 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -152.12 155.85 38.69 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.355 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.55 160.12 14.94 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.38 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -141.13 161.59 37.49 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.17 -1.395 . . . . 0.0 109.894 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.32 149.33 20.5 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 CA-C-O 116.563 -1.684 . . . . 0.0 109.099 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -138.51 161.42 37.1 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.915 1.234 . . . . 0.0 111.401 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -94.49 130.42 40.89 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 169.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -73.83 94.21 2.25 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.839 1.654 . . . . 0.0 106.585 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.9 -47.71 83.74 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.786 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.437 -179.679 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_