data_1cz2_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 1cz2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 113.35 0.87 . . . . 0.71 113.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.82 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.71 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.82 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.82 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.82 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.71 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.71 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.82 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.82 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.71 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.71 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.82 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68 111.435 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.71 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.82 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 113.445 0.906 . . . . 0.71 113.445 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.82 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.71 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.82 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.82 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.82 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.482 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.71 107.798 174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.71 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.82 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.82 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.71 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.71 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.82 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68 111.693 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.71 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.82 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 120.969 0.414 . . . . 0.71 111.412 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.82 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.71 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.82 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.82 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.82 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.71 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.71 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.82 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.82 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.71 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.71 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.82 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.71 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.82 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.71 114.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.82 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.71 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76 112.325 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53 113.057 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.82 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.82 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.82 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.71 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.71 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.82 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.82 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.71 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.71 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.82 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.71 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.82 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 107.484 -1.302 . . . . 0.71 107.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.82 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.71 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.82 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.82 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.82 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.71 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.71 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.82 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.82 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.71 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.71 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.82 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.71 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.82 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 115.534 1.679 . . . . 0.71 115.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.82 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.71 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.82 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.82 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.82 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.71 107.523 168.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.71 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.82 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.82 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.71 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.71 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.71 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.82 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 109.914 -0.402 . . . . 0.71 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.82 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.71 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.82 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.82 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.82 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.71 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.71 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.82 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.82 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 86' ' ' ASP . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.71 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.71 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.82 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 52' ' ' LYS . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.71 111.753 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.82 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 119.031 -0.509 . . . . 0.71 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.82 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.71 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.82 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.82 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.82 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.71 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.71 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.82 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.82 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.71 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.71 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.82 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.71 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.82 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.22 -0.457 0 N-CA-C 107.582 -1.266 . . . . 0.71 107.582 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.82 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.71 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.82 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.82 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.82 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.71 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.71 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.82 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.82 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68 110.12 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.71 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.71 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.82 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.71 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.82 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.71 107.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.82 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.71 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.82 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.82 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.82 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.71 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.71 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.82 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.82 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68 110.153 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.71 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.71 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.82 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.71 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.82 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.924 -0.56 . . . . 0.71 110.25 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.82 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.71 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.82 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.82 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.82 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.458 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.71 108.355 172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.71 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.82 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.82 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.71 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.71 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.82 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.71 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.82 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.188 -0.91 . . . . 0.71 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.82 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.71 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.82 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53 110.724 -172.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.82 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.82 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.71 107.632 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.71 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.82 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.82 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.71 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.71 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.82 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.71 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.82 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 119.021 -0.514 . . . . 0.62 110.234 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.03 61.52 0.43 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.37 0.986 . . . . 0.71 113.35 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.82 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.71 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.82 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.82 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.82 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.71 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.71 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.82 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.82 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.71 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.71 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.82 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68 111.435 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.71 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.82 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.769 -0.634 . . . . 0.62 110.134 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.73 63.19 0.28 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.526 1.057 . . . . 0.71 113.445 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.82 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.71 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.82 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.82 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.82 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.71 107.798 174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.71 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.82 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.82 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.71 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.71 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.82 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68 111.693 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.71 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.82 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.362 11.9 pt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 115.63 -2.128 . . . . 0.62 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 44.81 49.05 9.05 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.514 2.87 . . . . 0.71 111.412 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.82 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.71 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.82 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.82 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.82 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.71 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' CB ' ' C20' ' A' ' 91' ' ' E2P . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.71 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.82 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.82 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' ALA . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.71 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.71 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.82 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.71 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.82 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . 0.403 ' C20' ' CB ' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.5 pt . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 117.87 -1.062 . . . . 0.62 110.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 38.0 87.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 N-CA-C 114.332 1.234 . . . . 0.71 114.332 167.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.82 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.71 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76 112.325 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53 113.057 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.82 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.82 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.82 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.71 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.71 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.82 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.82 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.71 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.71 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.82 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.71 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.82 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 117.936 -1.03 . . . . 0.62 110.505 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 110.63 62.38 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.484 -1.302 . . . . 0.71 107.484 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.82 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.71 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.82 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.82 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.82 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.71 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.71 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.82 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.82 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.71 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.71 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.82 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.71 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.82 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 118.098 -0.953 . . . . 0.62 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.88 41.63 0.1 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.494 1.952 . . . . 0.71 115.534 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.82 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.71 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.82 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.82 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.82 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.71 107.523 168.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.71 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.82 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.82 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.71 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.71 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.71 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.82 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . 0.416 ' C20' ' C16' ' A' ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 118.928 -0.558 . . . . 0.62 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -158.4 54.55 0.44 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.682 0.674 . . . . 0.71 109.914 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.82 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.71 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.82 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.82 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.82 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.71 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.71 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.82 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.82 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' NZ ' ' OD2' ' A' ' 86' ' ' ASP . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.71 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.71 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.82 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' OD2' ' NZ ' ' A' ' 52' ' ' LYS . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.71 111.753 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.82 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.7 pt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 118.399 -0.81 . . . . 0.62 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 43.2 50.93 5.73 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.793 0.724 . . . . 0.71 110.633 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.82 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.71 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.82 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.82 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.82 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.71 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.71 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.82 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.82 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.71 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.71 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.82 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.71 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.82 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.286 1.7 tp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 118.4 -0.81 . . . . 0.62 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.95 176.4 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.466 1.485 . . . . 0.71 107.582 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.82 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.71 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.82 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.82 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.82 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.71 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.71 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.82 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.82 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68 110.12 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.71 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.71 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.82 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.71 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.82 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.284 1.7 tp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.401 -0.809 . . . . 0.62 109.665 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.03 176.39 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.487 1.494 . . . . 0.71 107.594 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.82 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.71 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.82 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.82 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.82 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.71 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.71 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.82 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.82 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68 110.153 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.71 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.71 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.82 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.71 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.82 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.483 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 44.07 66.23 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.789 0.722 . . . . 0.71 110.25 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.82 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.71 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.82 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.82 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.82 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.71 108.355 172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.71 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.82 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.82 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.71 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.71 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.82 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.71 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.82 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 118.655 -0.688 . . . . 0.62 110.674 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -139.54 32.23 2.07 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.188 -0.91 . . . . 0.71 112.443 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.82 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.71 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.82 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53 110.724 -172.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.82 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.82 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.71 107.632 174.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.71 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.82 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.82 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.71 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.71 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.82 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.71 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.82 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 113.35 0.87 . . . . 0.70999999999999996 113.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.81999999999999995 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.70999999999999996 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76000000000000001 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.81999999999999995 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68000000000000005 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53000000000000003 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53000000000000003 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68000000000000005 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.81999999999999995 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.81999999999999995 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.70999999999999996 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68000000000000005 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68000000000000005 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68000000000000005 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76000000000000001 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68000000000000005 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.70999999999999996 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76000000000000001 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68000000000000005 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.81999999999999995 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68000000000000005 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.81999999999999995 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76000000000000001 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68000000000000005 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68000000000000005 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.70999999999999996 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.70999999999999996 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68000000000000005 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76000000000000001 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53000000000000003 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53000000000000003 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.81999999999999995 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68000000000000005 111.435 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 76' ' ' ASN . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53000000000000003 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68000000000000005 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.70999999999999996 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.81999999999999995 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76000000000000001 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 113.445 0.906 . . . . 0.70999999999999996 113.445 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.81999999999999995 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.70999999999999996 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76000000000000001 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53000000000000003 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.81999999999999995 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68000000000000005 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53000000000000003 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53000000000000003 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68000000000000005 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.81999999999999995 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.81999999999999995 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.70999999999999996 107.798 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68000000000000005 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68000000000000005 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68000000000000005 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76000000000000001 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68000000000000005 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.70999999999999996 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76000000000000001 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68000000000000005 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.81999999999999995 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68000000000000005 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.81999999999999995 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76000000000000001 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68000000000000005 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68000000000000005 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.70999999999999996 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.70999999999999996 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68000000000000005 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76000000000000001 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53000000000000003 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53000000000000003 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.81999999999999995 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68000000000000005 111.693 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 76' ' ' ASN . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53000000000000003 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68000000000000005 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.70999999999999996 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.81999999999999995 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76000000000000001 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 120.969 0.414 . . . . 0.70999999999999996 111.412 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.81999999999999995 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.70999999999999996 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76000000000000001 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53000000000000003 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.81999999999999995 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68000000000000005 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53000000000000003 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53000000000000003 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68000000000000005 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.81999999999999995 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.70999999999999996 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68000000000000005 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68000000000000005 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68000000000000005 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76000000000000001 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68000000000000005 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.70999999999999996 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76000000000000001 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68000000000000005 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.81999999999999995 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68000000000000005 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.81999999999999995 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 79' ' ' TYR . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76000000000000001 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68000000000000005 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68000000000000005 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.70999999999999996 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.70999999999999996 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68000000000000005 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76000000000000001 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53000000000000003 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53000000000000003 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.81999999999999995 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68000000000000005 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53000000000000003 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68000000000000005 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.70999999999999996 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.81999999999999995 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76000000000000001 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.70999999999999996 114.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.81999999999999995 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.70999999999999996 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76000000000000001 112.325 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53000000000000003 113.057 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.81999999999999995 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68000000000000005 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53000000000000003 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53000000000000003 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68000000000000005 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.81999999999999995 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.81999999999999995 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.70999999999999996 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68000000000000005 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68000000000000005 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68000000000000005 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76000000000000001 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68000000000000005 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.70999999999999996 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76000000000000001 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68000000000000005 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.81999999999999995 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68000000000000005 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.81999999999999995 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76000000000000001 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68000000000000005 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 61' ' ' LEU . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68000000000000005 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.70999999999999996 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.70999999999999996 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68000000000000005 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76000000000000001 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53000000000000003 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53000000000000003 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.81999999999999995 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68000000000000005 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53000000000000003 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68000000000000005 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.70999999999999996 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.81999999999999995 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76000000000000001 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 107.484 -1.302 . . . . 0.70999999999999996 107.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.81999999999999995 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.70999999999999996 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76000000000000001 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53000000000000003 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.81999999999999995 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68000000000000005 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53000000000000003 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53000000000000003 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68000000000000005 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.81999999999999995 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.81999999999999995 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.70999999999999996 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68000000000000005 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68000000000000005 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68000000000000005 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76000000000000001 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68000000000000005 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.70999999999999996 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76000000000000001 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68000000000000005 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.81999999999999995 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68000000000000005 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.81999999999999995 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76000000000000001 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68000000000000005 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68000000000000005 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.70999999999999996 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.70999999999999996 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68000000000000005 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76000000000000001 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53000000000000003 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53000000000000003 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.81999999999999995 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68000000000000005 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53000000000000003 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68000000000000005 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.70999999999999996 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.81999999999999995 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76000000000000001 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 115.534 1.679 . . . . 0.70999999999999996 115.534 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.81999999999999995 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.70999999999999996 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76000000000000001 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53000000000000003 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.81999999999999995 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68000000000000005 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53000000000000003 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53000000000000003 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68000000000000005 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.81999999999999995 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.81999999999999995 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.70999999999999996 107.523 168.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68000000000000005 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68000000000000005 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68000000000000005 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76000000000000001 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68000000000000005 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.70999999999999996 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76000000000000001 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68000000000000005 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.81999999999999995 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68000000000000005 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.81999999999999995 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76000000000000001 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68000000000000005 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68000000000000005 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.70999999999999996 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.70999999999999996 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68000000000000005 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76000000000000001 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53000000000000003 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53000000000000003 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.81999999999999995 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68000000000000005 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53000000000000003 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68000000000000005 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.70999999999999996 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.81999999999999995 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76000000000000001 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 109.914 -0.402 . . . . 0.70999999999999996 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.81999999999999995 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.70999999999999996 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76000000000000001 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53000000000000003 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.81999999999999995 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68000000000000005 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53000000000000003 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53000000000000003 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68000000000000005 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.81999999999999995 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.81999999999999995 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.70999999999999996 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68000000000000005 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68000000000000005 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68000000000000005 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76000000000000001 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68000000000000005 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.70999999999999996 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76000000000000001 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68000000000000005 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.81999999999999995 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68000000000000005 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.81999999999999995 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76000000000000001 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68000000000000005 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68000000000000005 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.70999999999999996 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.70999999999999996 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68000000000000005 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76000000000000001 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53000000000000003 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53000000000000003 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.81999999999999995 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68000000000000005 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53000000000000003 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68000000000000005 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.70999999999999996 111.753 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.81999999999999995 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76000000000000001 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 119.031 -0.509 . . . . 0.70999999999999996 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.81999999999999995 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.70999999999999996 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76000000000000001 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53000000000000003 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.81999999999999995 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68000000000000005 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53000000000000003 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53000000000000003 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68000000000000005 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.81999999999999995 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.81999999999999995 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.70999999999999996 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68000000000000005 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68000000000000005 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68000000000000005 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76000000000000001 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68000000000000005 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.70999999999999996 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76000000000000001 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68000000000000005 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.81999999999999995 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68000000000000005 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.81999999999999995 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76000000000000001 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68000000000000005 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68000000000000005 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.70999999999999996 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.70999999999999996 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68000000000000005 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76000000000000001 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53000000000000003 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53000000000000003 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.81999999999999995 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68000000000000005 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53000000000000003 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68000000000000005 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.70999999999999996 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.81999999999999995 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76000000000000001 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.22 -0.457 0 N-CA-C 107.582 -1.266 . . . . 0.70999999999999996 107.582 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.81999999999999995 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.70999999999999996 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76000000000000001 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53000000000000003 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.81999999999999995 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68000000000000005 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53000000000000003 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53000000000000003 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68000000000000005 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.81999999999999995 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.70999999999999996 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68000000000000005 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68000000000000005 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68000000000000005 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76000000000000001 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68000000000000005 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.70999999999999996 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76000000000000001 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68000000000000005 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.81999999999999995 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68000000000000005 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.81999999999999995 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76000000000000001 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68000000000000005 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68000000000000005 110.12 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.70999999999999996 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.70999999999999996 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68000000000000005 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76000000000000001 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53000000000000003 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53000000000000003 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.81999999999999995 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68000000000000005 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53000000000000003 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' O ' HD13 ' A' ' 77' ' ' LEU . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68000000000000005 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.70999999999999996 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.81999999999999995 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76000000000000001 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.70999999999999996 107.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.81999999999999995 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.70999999999999996 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76000000000000001 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53000000000000003 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.81999999999999995 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68000000000000005 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53000000000000003 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53000000000000003 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68000000000000005 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.81999999999999995 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.81999999999999995 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.70999999999999996 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68000000000000005 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68000000000000005 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68000000000000005 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76000000000000001 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68000000000000005 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.70999999999999996 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76000000000000001 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68000000000000005 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.81999999999999995 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68000000000000005 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.81999999999999995 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76000000000000001 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68000000000000005 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68000000000000005 110.153 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.70999999999999996 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.70999999999999996 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68000000000000005 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76000000000000001 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53000000000000003 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53000000000000003 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.81999999999999995 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68000000000000005 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53000000000000003 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HD13 ' A' ' 77' ' ' LEU . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68000000000000005 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.70999999999999996 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.81999999999999995 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76000000000000001 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.924 -0.56 . . . . 0.70999999999999996 110.25 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.81999999999999995 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.70999999999999996 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76000000000000001 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53000000000000003 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.81999999999999995 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68000000000000005 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53000000000000003 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53000000000000003 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68000000000000005 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.81999999999999995 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.81999999999999995 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.70999999999999996 108.355 172.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68000000000000005 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68000000000000005 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68000000000000005 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76000000000000001 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68000000000000005 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.70999999999999996 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76000000000000001 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68000000000000005 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.81999999999999995 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68000000000000005 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.81999999999999995 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76000000000000001 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68000000000000005 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68000000000000005 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.70999999999999996 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.70999999999999996 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68000000000000005 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76000000000000001 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53000000000000003 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.81999999999999995 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68000000000000005 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53000000000000003 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68000000000000005 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.70999999999999996 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.81999999999999995 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76000000000000001 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.188 -0.91 . . . . 0.70999999999999996 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.81999999999999995 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.70999999999999996 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76000000000000001 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53000000000000003 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.81999999999999995 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68000000000000005 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 21' ' ' PRO . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 20' ' ' GLY . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53000000000000003 110.724 -172.253 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53000000000000003 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68000000000000005 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.81999999999999995 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.81999999999999995 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.70999999999999996 107.632 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68000000000000005 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68000000000000005 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68000000000000005 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76000000000000001 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68000000000000005 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.70999999999999996 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76000000000000001 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68000000000000005 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.81999999999999995 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68000000000000005 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.81999999999999995 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76000000000000001 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68000000000000005 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68000000000000005 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.70999999999999996 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.70999999999999996 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68000000000000005 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76000000000000001 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53000000000000003 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53000000000000003 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.81999999999999995 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68000000000000005 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53000000000000003 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68000000000000005 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.70999999999999996 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.81999999999999995 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76000000000000001 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 119.021 -0.514 . . . . 0.62 110.234 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.03 61.52 0.43 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.37 0.986 . . . . 0.70999999999999996 113.35 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.81999999999999995 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.70999999999999996 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76000000000000001 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53000000000000003 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.81999999999999995 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68000000000000005 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53000000000000003 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53000000000000003 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68000000000000005 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.81999999999999995 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.81999999999999995 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.70999999999999996 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68000000000000005 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68000000000000005 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68000000000000005 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76000000000000001 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68000000000000005 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.70999999999999996 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76000000000000001 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68000000000000005 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.81999999999999995 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68000000000000005 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.81999999999999995 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76000000000000001 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68000000000000005 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68000000000000005 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.70999999999999996 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.70999999999999996 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68000000000000005 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76000000000000001 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53000000000000003 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53000000000000003 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.81999999999999995 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68000000000000005 111.435 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 76' ' ' ASN . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53000000000000003 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68000000000000005 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.70999999999999996 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.81999999999999995 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76000000000000001 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.769 -0.634 . . . . 0.62 110.134 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.73 63.19 0.28 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.526 1.057 . . . . 0.70999999999999996 113.445 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.81999999999999995 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.70999999999999996 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76000000000000001 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53000000000000003 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.81999999999999995 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68000000000000005 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53000000000000003 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53000000000000003 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68000000000000005 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.81999999999999995 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.81999999999999995 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.70999999999999996 107.798 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68000000000000005 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68000000000000005 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68000000000000005 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76000000000000001 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68000000000000005 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.70999999999999996 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76000000000000001 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68000000000000005 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.81999999999999995 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68000000000000005 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.81999999999999995 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76000000000000001 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68000000000000005 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68000000000000005 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.70999999999999996 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.70999999999999996 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68000000000000005 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76000000000000001 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53000000000000003 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53000000000000003 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.81999999999999995 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68000000000000005 111.693 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 76' ' ' ASN . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53000000000000003 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68000000000000005 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.70999999999999996 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.81999999999999995 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76000000000000001 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.362 11.9 pt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 115.63 -2.128 . . . . 0.62 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 44.81 49.05 9.05 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.514 2.87 . . . . 0.70999999999999996 111.412 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.81999999999999995 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.70999999999999996 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76000000000000001 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53000000000000003 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.81999999999999995 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68000000000000005 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53000000000000003 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53000000000000003 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68000000000000005 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.81999999999999995 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.81999999999999995 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.70999999999999996 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68000000000000005 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68000000000000005 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68000000000000005 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' CB ' ' C20' ' A' ' 91' ' ' E2P . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76000000000000001 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68000000000000005 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.70999999999999996 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76000000000000001 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68000000000000005 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.81999999999999995 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68000000000000005 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.81999999999999995 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 79' ' ' TYR . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76000000000000001 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68000000000000005 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68000000000000005 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.70999999999999996 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.70999999999999996 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68000000000000005 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76000000000000001 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53000000000000003 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53000000000000003 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.81999999999999995 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68000000000000005 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53000000000000003 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68000000000000005 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.70999999999999996 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.81999999999999995 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76000000000000001 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 91' ' ' E2P . . . . . 0.403 ' C20' ' CB ' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.5 pt . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 117.87 -1.062 . . . . 0.62 110.026 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 38.0 87.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 N-CA-C 114.332 1.234 . . . . 0.70999999999999996 114.332 167.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.81999999999999995 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.70999999999999996 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76000000000000001 112.325 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53000000000000003 113.057 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.81999999999999995 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68000000000000005 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53000000000000003 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53000000000000003 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68000000000000005 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.81999999999999995 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.81999999999999995 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.70999999999999996 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68000000000000005 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68000000000000005 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68000000000000005 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76000000000000001 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68000000000000005 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.70999999999999996 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76000000000000001 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68000000000000005 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.81999999999999995 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68000000000000005 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.81999999999999995 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76000000000000001 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68000000000000005 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 61' ' ' LEU . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68000000000000005 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.70999999999999996 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.70999999999999996 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68000000000000005 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76000000000000001 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53000000000000003 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53000000000000003 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.81999999999999995 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68000000000000005 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53000000000000003 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68000000000000005 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.70999999999999996 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.81999999999999995 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76000000000000001 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 117.936 -1.03 . . . . 0.62 110.505 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 110.63 62.38 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.484 -1.302 . . . . 0.70999999999999996 107.484 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.81999999999999995 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.70999999999999996 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76000000000000001 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53000000000000003 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.81999999999999995 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68000000000000005 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53000000000000003 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53000000000000003 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68000000000000005 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.81999999999999995 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.81999999999999995 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.70999999999999996 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68000000000000005 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68000000000000005 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68000000000000005 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76000000000000001 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68000000000000005 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.70999999999999996 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76000000000000001 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68000000000000005 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.81999999999999995 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68000000000000005 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.81999999999999995 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76000000000000001 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68000000000000005 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68000000000000005 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.70999999999999996 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.70999999999999996 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68000000000000005 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76000000000000001 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53000000000000003 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53000000000000003 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.81999999999999995 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68000000000000005 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53000000000000003 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68000000000000005 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.70999999999999996 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.81999999999999995 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76000000000000001 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 118.098 -0.953 . . . . 0.62 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.88 41.63 0.1 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.494 1.952 . . . . 0.70999999999999996 115.534 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.81999999999999995 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.70999999999999996 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76000000000000001 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53000000000000003 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.81999999999999995 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68000000000000005 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53000000000000003 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53000000000000003 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68000000000000005 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.81999999999999995 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.81999999999999995 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.70999999999999996 107.523 168.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68000000000000005 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68000000000000005 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68000000000000005 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76000000000000001 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68000000000000005 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.70999999999999996 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76000000000000001 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68000000000000005 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.81999999999999995 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68000000000000005 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.81999999999999995 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76000000000000001 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68000000000000005 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68000000000000005 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.70999999999999996 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.70999999999999996 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68000000000000005 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76000000000000001 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53000000000000003 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53000000000000003 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.81999999999999995 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68000000000000005 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD22 ' O21' ' A' ' 91' ' ' E2P . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53000000000000003 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68000000000000005 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.70999999999999996 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.81999999999999995 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76000000000000001 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 91' ' ' E2P . . . . . 0.466 ' O21' HD22 ' A' ' 77' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 118.928 -0.558 . . . . 0.62 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -158.4 54.55 0.44 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.682 0.674 . . . . 0.70999999999999996 109.914 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.81999999999999995 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.70999999999999996 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76000000000000001 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53000000000000003 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.81999999999999995 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68000000000000005 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53000000000000003 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53000000000000003 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68000000000000005 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.81999999999999995 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.81999999999999995 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.70999999999999996 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68000000000000005 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68000000000000005 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68000000000000005 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76000000000000001 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68000000000000005 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.70999999999999996 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76000000000000001 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68000000000000005 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.81999999999999995 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68000000000000005 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.81999999999999995 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76000000000000001 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68000000000000005 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68000000000000005 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.70999999999999996 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.70999999999999996 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68000000000000005 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76000000000000001 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53000000000000003 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53000000000000003 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.81999999999999995 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68000000000000005 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53000000000000003 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68000000000000005 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.70999999999999996 111.753 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.81999999999999995 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76000000000000001 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.7 pt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 118.399 -0.81 . . . . 0.62 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 43.2 50.93 5.73 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.793 0.724 . . . . 0.70999999999999996 110.633 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.81999999999999995 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.70999999999999996 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76000000000000001 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53000000000000003 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.81999999999999995 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68000000000000005 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53000000000000003 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53000000000000003 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68000000000000005 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.81999999999999995 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.81999999999999995 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.70999999999999996 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68000000000000005 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68000000000000005 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68000000000000005 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76000000000000001 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68000000000000005 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.70999999999999996 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76000000000000001 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68000000000000005 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.81999999999999995 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68000000000000005 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.81999999999999995 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76000000000000001 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68000000000000005 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68000000000000005 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.70999999999999996 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.70999999999999996 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68000000000000005 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76000000000000001 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53000000000000003 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53000000000000003 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.81999999999999995 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68000000000000005 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53000000000000003 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68000000000000005 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.70999999999999996 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.81999999999999995 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76000000000000001 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 91' ' ' E2P . . . . . 0.409 ' O20' ' HB2' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.286 1.7 tp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 118.4 -0.81 . . . . 0.62 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.95 176.4 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.466 1.485 . . . . 0.70999999999999996 107.582 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.81999999999999995 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.70999999999999996 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76000000000000001 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53000000000000003 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.81999999999999995 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68000000000000005 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53000000000000003 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53000000000000003 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68000000000000005 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.81999999999999995 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.81999999999999995 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.70999999999999996 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68000000000000005 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68000000000000005 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68000000000000005 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76000000000000001 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68000000000000005 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.70999999999999996 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76000000000000001 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68000000000000005 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.81999999999999995 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68000000000000005 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.81999999999999995 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.441 HD22 ' C16' ' A' ' 91' ' ' E2P . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76000000000000001 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68000000000000005 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68000000000000005 110.12 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.70999999999999996 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.70999999999999996 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68000000000000005 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76000000000000001 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53000000000000003 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53000000000000003 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.81999999999999995 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68000000000000005 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53000000000000003 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' O ' HD13 ' A' ' 77' ' ' LEU . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68000000000000005 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.70999999999999996 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.81999999999999995 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76000000000000001 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 91' ' ' E2P . . . . . 0.441 ' C16' HD22 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.284 1.7 tp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.401 -0.809 . . . . 0.62 109.665 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.03 176.39 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.487 1.494 . . . . 0.70999999999999996 107.594 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.81999999999999995 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.70999999999999996 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76000000000000001 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53000000000000003 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.81999999999999995 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68000000000000005 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53000000000000003 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53000000000000003 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68000000000000005 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.81999999999999995 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.81999999999999995 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.70999999999999996 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68000000000000005 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68000000000000005 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68000000000000005 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76000000000000001 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68000000000000005 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.70999999999999996 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76000000000000001 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68000000000000005 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.81999999999999995 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68000000000000005 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.81999999999999995 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' C16' ' A' ' 91' ' ' E2P . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76000000000000001 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68000000000000005 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68000000000000005 110.153 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.70999999999999996 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.70999999999999996 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68000000000000005 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76000000000000001 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53000000000000003 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53000000000000003 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.81999999999999995 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68000000000000005 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53000000000000003 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HD13 ' A' ' 77' ' ' LEU . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68000000000000005 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.70999999999999996 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.81999999999999995 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76000000000000001 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 91' ' ' E2P . . . . . 0.43 ' C16' HD22 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.483 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 44.07 66.23 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.789 0.722 . . . . 0.70999999999999996 110.25 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.81999999999999995 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.70999999999999996 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76000000000000001 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53000000000000003 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.81999999999999995 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68000000000000005 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53000000000000003 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53000000000000003 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68000000000000005 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.81999999999999995 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.81999999999999995 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.70999999999999996 108.355 172.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68000000000000005 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68000000000000005 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68000000000000005 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76000000000000001 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68000000000000005 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.70999999999999996 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76000000000000001 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68000000000000005 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.81999999999999995 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68000000000000005 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.81999999999999995 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76000000000000001 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68000000000000005 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68000000000000005 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.70999999999999996 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.70999999999999996 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68000000000000005 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76000000000000001 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53000000000000003 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53000000000000003 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.81999999999999995 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68000000000000005 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53000000000000003 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68000000000000005 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.70999999999999996 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.81999999999999995 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76000000000000001 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 118.655 -0.688 . . . . 0.62 110.674 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -139.54 32.23 2.07 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.188 -0.91 . . . . 0.70999999999999996 112.443 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.81999999999999995 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.70999999999999996 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76000000000000001 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53000000000000003 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.81999999999999995 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68000000000000005 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 21' ' ' PRO . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 20' ' ' GLY . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53000000000000003 110.724 -172.253 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53000000000000003 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68000000000000005 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.81999999999999995 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.81999999999999995 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.70999999999999996 107.632 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68000000000000005 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68000000000000005 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68000000000000005 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76000000000000001 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68000000000000005 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.70999999999999996 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76000000000000001 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68000000000000005 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.81999999999999995 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68000000000000005 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.81999999999999995 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76000000000000001 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68000000000000005 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68000000000000005 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.70999999999999996 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.70999999999999996 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68000000000000005 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76000000000000001 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53000000000000003 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53000000000000003 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.81999999999999995 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68000000000000005 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53000000000000003 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68000000000000005 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.70999999999999996 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.81999999999999995 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76000000000000001 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.221 -0.421 0 N-CA-C 113.35 0.87 . . . . 0.71 113.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.82 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.71 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.82 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.82 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.82 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.71 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.71 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.82 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.82 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.71 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.71 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.82 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68 111.435 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 76' ' ' ASN . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.71 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.82 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 113.445 0.906 . . . . 0.71 113.445 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.82 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.71 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.82 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.82 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.82 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.71 107.798 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.71 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.82 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.82 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.71 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.71 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.82 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68 111.693 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 76' ' ' ASN . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.71 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.82 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 120.969 0.414 . . . . 0.71 111.412 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.82 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.71 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.82 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.82 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.82 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.71 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.71 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.82 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.82 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 79' ' ' TYR . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.71 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.71 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.82 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.71 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.82 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 . . . . . 0 C--O 1.223 -0.339 0 N-CA-C 114.332 1.234 . . . . 0.71 114.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.82 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.71 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76 112.325 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53 113.057 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.82 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.82 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.82 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.71 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.71 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.82 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.82 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 61' ' ' LEU . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.71 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.71 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.82 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.71 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.82 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 107.484 -1.302 . . . . 0.71 107.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.82 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.71 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.82 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.82 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.82 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.71 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.71 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.82 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.82 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.71 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.71 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.82 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.71 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.82 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 115.534 1.679 . . . . 0.71 115.534 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.82 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.71 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.82 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.82 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.82 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.71 107.523 168.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.71 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.82 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.82 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.71 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.71 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.71 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.82 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 . . . . . 0 C--O 1.221 -0.443 0 N-CA-C 109.914 -0.402 . . . . 0.71 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.82 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.71 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.82 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.82 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.82 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.71 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.71 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.82 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.82 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.71 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.71 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.82 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.71 111.753 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.82 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 119.031 -0.509 . . . . 0.71 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.82 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.71 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.82 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.82 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.82 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.71 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.71 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.82 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.82 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.71 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.71 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.82 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.71 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.82 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--O 1.22 -0.457 0 N-CA-C 107.582 -1.266 . . . . 0.71 107.582 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.82 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.71 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.82 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.82 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.82 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.71 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.71 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.82 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.82 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68 110.12 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.71 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.71 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.82 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' O ' HD13 ' A' ' 77' ' ' LEU . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.71 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.82 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 107.594 -1.262 . . . . 0.71 107.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.82 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.71 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.82 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.82 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.82 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.71 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.71 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.82 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.82 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68 110.153 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.71 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.71 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.82 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HD13 ' A' ' 77' ' ' LEU . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.71 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.82 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.924 -0.56 . . . . 0.71 110.25 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.82 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.71 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.82 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.82 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.82 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.71 108.355 172.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.71 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.82 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.82 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.71 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.71 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.82 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.71 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.82 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.188 -0.91 . . . . 0.71 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.82 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.71 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.82 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 21' ' ' PRO . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 20' ' ' GLY . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53 110.724 -172.253 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.82 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.82 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.71 107.632 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.71 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.82 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.82 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.71 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.71 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.82 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.71 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.82 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 119.021 -0.514 . . . . 0.62 110.234 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.03 61.52 0.43 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 119.37 0.986 . . . . 0.71 113.35 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 39.3 t 44.71 53.37 7.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 119.87 1.214 . . . . 0.82 113.382 172.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.2 -71.62 0.02 OUTLIER Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.504 -1.038 . . . . 0.62 110.504 -178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.23 -35.56 71.88 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.14 1.47 . . . . 0.62 109.223 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.25 -52.58 49.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 107.97 -1.122 . . . . 0.62 107.97 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -51.07 -48.15 61.68 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 120.287 -0.565 . . . . 0.71 109.88 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -48.69 80.66 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.176 -0.952 . . . . 0.62 111.649 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.17 -27.52 66.49 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 113.736 1.013 . . . . 0.62 113.736 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.12 -35.43 68.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 CA-C-N 120.857 1.662 . . . . 0.62 110.688 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.3 -58.55 1.84 Allowed Pre-proline 0 C--N 1.353 0.734 0 CA-C-N 120.484 1.493 . . . . 0.76 114.839 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -58.28 -27.83 82.31 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 123.648 2.338 . . . . 0.53 112.444 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 m -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.84 1.2 . . . . 0.82 110.942 174.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -43.08 -39.77 2.88 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.002 -0.999 . . . . 0.62 113.132 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.8 m -47.12 -50.11 20.77 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 120.103 1.319 . . . . 0.62 110.971 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -74.94 -41.75 59.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 120.438 -0.505 . . . . 0.62 111.587 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.72 -45.16 73.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 N-CA-C 108.025 -1.102 . . . . 0.62 108.025 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -69.18 -51.49 37.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.876 -0.787 . . . . 0.68 108.876 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.13 99.62 0.14 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 110.036 -1.225 . . . . 0.62 110.036 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.01 177.46 47.65 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 117.155 -1.914 . . . . 0.62 112.277 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -84.59 177.72 5.46 Favored 'Trans proline' 0 C--N 1.357 1.0 0 CA-C-N 120.914 2.357 . . . . 0.53 110.877 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.48 7.46 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-O 116.309 -2.384 . . . . 0.62 110.824 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.3 -179.31 23.14 Favored 'Cis proline' 0 C--N 1.36 1.15 0 CA-C-N 123.249 3.524 . . . . 0.53 112.759 5.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -66.03 163.96 16.27 Favored 'General case' 0 C--N 1.352 0.701 0 N-CA-C 113.256 0.835 . . . . 0.62 113.256 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -36.81 74.94 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 120.045 -1.074 . . . . 0.62 111.34 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.07 -47.34 61.85 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.914 1.357 . . . . 0.68 108.932 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.9 t -57.96 -45.6 86.42 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.116 -1.421 . . . . 0.82 109.311 177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.24 -44.17 75.25 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.87 1.668 . . . . 0.82 110.52 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 18.5 t70 -58.86 -44.97 91.14 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 107.78 -1.193 . . . . 0.71 107.78 174.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.8 -40.36 49.07 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 118.577 -1.124 . . . . 0.62 112.549 172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.11 -58.05 9.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 120.071 1.936 . . . . 0.62 109.468 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -57.05 -37.58 72.02 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.48 -0.888 . . . . 0.62 109.806 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -62.47 -47.88 82.07 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.683 -1.151 . . . . 0.68 110.739 175.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.96 -54.82 37.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 121.302 1.865 . . . . 0.62 108.317 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -48.04 -46.78 33.65 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.486 -0.886 . . . . 0.62 110.149 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -67.13 -40.23 86.74 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 119.015 0.825 . . . . 0.68 112.959 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -69.86 -49.01 56.6 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.423 1.011 . . . . 0.68 109.35 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.95 72.43 0.84 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-O 118.844 -0.598 . . . . 0.62 112.264 -176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -129.94 -49.26 1.12 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.712 -1.137 . . . . 0.76 112.486 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -62.18 164.49 6.84 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 122.358 2.345 . . . . 0.62 109.472 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.18 -47.08 75.14 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.382 -0.97 . . . . 0.68 108.382 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.7 t -49.15 -45.98 44.59 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 120.028 -0.669 . . . . 0.62 110.377 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.6 -47.2 82.79 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.195 -0.602 . . . . 0.71 110.422 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -42.19 77.08 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 119.565 -0.854 . . . . 0.76 109.316 177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.03 -52.03 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.042 -1.063 . . . . 0.68 108.972 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.0 m -59.7 -49.72 76.64 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 120.185 -0.606 . . . . 0.62 111.172 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.19 -49.35 76.25 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 118.811 0.732 . . . . 0.62 109.628 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 t -54.31 -47.31 72.59 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 118.664 -0.684 . . . . 0.82 111.087 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -62.22 -46.62 88.05 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.805 1.184 . . . . 0.68 109.416 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -49.33 36.99 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.889 -0.782 . . . . 0.82 108.889 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.3 tm? -59.44 -53.82 53.71 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 120.309 -0.557 . . . . 0.62 110.984 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -58.83 -21.43 56.64 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.201 -0.904 . . . . 0.62 111.031 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.91 -45.67 6.6 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 119.997 1.271 . . . . 0.62 112.895 170.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.0 mt -81.56 -74.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 119.071 1.435 . . . . 0.62 113.024 -167.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.82 70.35 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 119.711 1.141 . . . . 0.62 110.291 -169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -50.46 -46.31 56.63 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 107.645 -1.242 . . . . 0.76 107.645 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.07 -48.48 67.5 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.833 -1.175 . . . . 0.62 110.972 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.8 mt -77.17 75.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 106.286 -1.746 . . . . 0.62 106.286 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -58.06 -40.02 79.94 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.986 -1.071 . . . . 0.62 112.26 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -66.07 80.5 0.08 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.403 1.002 . . . . 0.68 109.276 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.08 156.03 26.2 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.041 -1.457 . . . . 0.62 110.442 -169.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -119.55 82.67 1.91 Allowed 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.397 1.453 . . . . 0.68 111.471 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -39.0 72.91 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.767 0.655 . . . . 0.71 112.767 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.26 -35.69 78.29 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 119.002 -1.079 . . . . 0.71 109.687 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -56.81 -52.49 64.85 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 107.913 -1.143 . . . . 0.68 107.913 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.71 -33.0 21.1 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.388 -0.815 . . . . 0.62 112.477 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -40.82 -42.19 1.75 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.594 0.634 . . . . 0.76 111.386 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.8 m -67.27 -15.82 63.92 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.092 1.516 . . . . 0.62 115.092 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.1 mt -56.34 -62.35 5.01 Favored Pre-proline 0 C--N 1.352 0.69 0 CA-C-N 120.819 1.645 . . . . 0.62 110.918 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.32 -54.16 5.87 Favored 'Trans proline' 0 C--N 1.359 1.114 0 CA-C-N 124.309 2.574 . . . . 0.53 116.037 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.27 68.79 6.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 CA-C-N 124.432 2.619 . . . . 0.53 110.276 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -162.22 -61.12 0.05 OUTLIER 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.602 -0.888 . . . . 0.62 108.602 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.1 t -70.71 -37.25 73.52 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.922 -1.037 . . . . 0.82 109.569 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.41 65.82 0.29 Allowed Glycine 0 C--N 1.357 1.733 0 CA-C-O 118.875 -0.958 . . . . 0.62 110.836 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -170.59 158.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.054 -1.45 . . . . 0.62 109.942 -173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.4 p30 -135.23 166.59 22.76 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.437 1.471 . . . . 0.68 111.435 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 76' ' ' ASN . 5.4 mp -117.43 159.02 43.43 Favored Pre-proline 0 C--N 1.357 0.909 0 CA-C-O 116.098 -1.906 . . . . 0.62 109.178 -174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -62.46 -30.84 80.54 Favored 'Trans proline' 0 C--N 1.361 1.194 0 CA-C-N 123.749 2.375 . . . . 0.53 110.762 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -148.46 159.1 44.37 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.711 1.141 . . . . 0.62 108.682 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -76.81 0.13 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 120.201 1.364 . . . . 0.62 110.8 -171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 tt -163.83 143.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-O 117.857 -1.068 . . . . 0.62 111.468 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -92.97 48.92 1.38 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.539 1.518 . . . . 0.62 114.217 -173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.6 mt -104.59 -57.8 1.98 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 107.675 -1.231 . . . . 0.62 107.675 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -111.72 21.19 16.33 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.514 -1.232 . . . . 0.68 111.077 172.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.256 4.5 mp -129.98 -99.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.087 0 CA-C-O 116.234 -1.841 . . . . 0.62 108.323 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -164.87 157.65 16.48 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 123.04 2.655 . . . . 0.71 113.88 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.7 t -59.28 -19.56 47.05 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.488 -1.72 . . . . 0.82 114.258 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t 54.07 56.74 6.67 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 121.075 1.761 . . . . 0.62 109.592 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -74.71 69.92 1.82 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.897 -0.779 . . . . 0.76 108.897 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.924 -1.51 . . . . 0.62 106.924 178.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 118.769 -0.634 . . . . 0.62 110.134 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.73 63.19 0.28 Allowed 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.526 1.057 . . . . 0.71 113.445 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t 42.47 49.51 4.68 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 114.361 1.245 . . . . 0.82 114.361 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -73.04 0.06 OUTLIER Glycine 0 C--N 1.351 1.412 0 N-CA-C 109.89 -1.284 . . . . 0.62 109.89 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -58.49 -38.78 78.34 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.856 1.328 . . . . 0.62 108.841 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.23 -53.0 32.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 108.322 -0.992 . . . . 0.62 108.322 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -51.7 -49.15 63.01 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 120.297 -0.561 . . . . 0.71 109.961 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -60.57 -46.64 89.46 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.292 -0.88 . . . . 0.62 111.765 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 113.509 0.929 . . . . 0.62 113.509 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.21 -34.78 60.31 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 120.429 1.468 . . . . 0.62 110.75 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -37.76 -58.6 1.31 Allowed Pre-proline 0 C--N 1.353 0.739 0 CA-C-N 120.562 1.528 . . . . 0.76 114.918 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -58.71 -28.5 86.73 Favored 'Trans proline' 0 C--N 1.358 1.05 0 CA-C-N 123.696 2.356 . . . . 0.53 112.502 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.4 m -69.77 -40.2 76.2 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.9 1.227 . . . . 0.82 110.629 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mp -43.29 -39.43 3.05 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 118.041 -0.98 . . . . 0.62 113.06 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -49.04 -50.74 34.85 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.196 1.362 . . . . 0.62 110.951 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -71.91 -42.25 66.94 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 120.383 -0.527 . . . . 0.62 111.403 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.23 -45.88 77.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 108.193 -1.039 . . . . 0.62 108.193 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.16 -49.35 57.54 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.864 -0.791 . . . . 0.68 108.864 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.21 100.66 0.15 Allowed Glycine 0 C--N 1.351 1.383 0 N-CA-C 109.976 -1.25 . . . . 0.62 109.976 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.23 177.07 47.85 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.124 -1.931 . . . . 0.62 112.384 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.48 176.76 5.42 Favored 'Trans proline' 0 C--N 1.357 0.991 0 CA-C-N 120.922 2.361 . . . . 0.53 111.041 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.93 -125.33 6.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 116.381 -2.344 . . . . 0.62 110.915 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.93 -178.89 22.9 Favored 'Cis proline' 0 C--N 1.36 1.179 0 CA-C-N 123.304 3.552 . . . . 0.53 112.853 4.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.4 p -67.13 165.1 16.61 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 113.323 0.86 . . . . 0.62 113.323 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.77 -36.61 73.08 Favored Glycine 0 C--N 1.355 1.624 0 C-N-CA 120.066 -1.064 . . . . 0.62 111.511 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.71 -47.71 63.84 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.096 1.448 . . . . 0.68 108.883 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.1 t -57.54 -45.69 84.76 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.429 -1.272 . . . . 0.82 109.413 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.45 -43.95 75.9 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.523 1.51 . . . . 0.82 110.511 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.85 -44.76 91.06 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 107.798 -1.186 . . . . 0.71 107.798 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -51.91 -40.36 49.91 Favored Glycine 0 C--N 1.35 1.35 0 CA-C-O 118.611 -1.105 . . . . 0.62 112.645 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.1 -57.75 10.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 119.746 1.773 . . . . 0.62 109.629 -176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.29 72.91 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 119.427 -0.909 . . . . 0.62 109.833 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.64 -48.28 80.04 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.695 -1.145 . . . . 0.68 110.347 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -53.85 -53.63 49.8 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 121.302 1.864 . . . . 0.62 108.562 178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -49.41 -47.64 47.75 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.389 -0.924 . . . . 0.62 110.316 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -65.63 -38.59 89.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 118.589 -0.719 . . . . 0.68 112.611 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -73.7 -47.79 36.97 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.094 0.861 . . . . 0.68 109.61 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.46 72.38 0.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 118.959 0.799 . . . . 0.62 111.891 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -130.41 -50.35 1.08 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.648 -1.168 . . . . 0.76 112.34 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 t -63.11 164.04 9.12 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 122.394 2.361 . . . . 0.62 109.555 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -65.87 -47.28 75.42 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 121.129 -0.982 . . . . 0.68 108.367 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.1 t -49.51 -46.03 47.88 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 120.004 -0.678 . . . . 0.62 110.25 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -57.35 -47.75 80.79 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.113 -0.635 . . . . 0.71 110.574 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -41.58 78.84 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.491 -0.883 . . . . 0.76 109.19 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.04 -52.18 63.84 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 118.982 -1.087 . . . . 0.68 108.692 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.6 m -57.59 -50.29 73.6 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 120.216 -0.594 . . . . 0.62 111.032 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.45 76.8 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 118.73 0.695 . . . . 0.62 110.004 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.6 t -54.07 -49.33 69.28 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.945 -0.702 . . . . 0.82 110.984 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -62.18 -44.05 97.46 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.535 1.061 . . . . 0.68 109.749 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.08 -47.79 53.46 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.951 -0.759 . . . . 0.82 108.951 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.1 tm? -61.83 -52.74 62.93 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 120.585 -0.446 . . . . 0.62 110.853 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -59.12 -21.74 59.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.323 -0.846 . . . . 0.62 111.167 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.54 -48.03 6.09 Favored Glycine 0 C--N 1.353 1.484 0 CA-C-N 119.882 1.219 . . . . 0.62 112.51 170.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.2 mt -80.63 -73.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 118.874 1.337 . . . . 0.62 113.158 -167.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.8 70.79 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 119.478 1.036 . . . . 0.62 110.373 -168.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -49.96 -45.36 51.32 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.884 -1.154 . . . . 0.76 107.884 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.71 -48.89 68.7 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 119.857 -1.163 . . . . 0.62 110.901 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -77.24 74.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 106.363 -1.717 . . . . 0.62 106.363 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -58.2 -39.68 79.6 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.972 -1.08 . . . . 0.62 112.275 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -66.08 80.46 0.08 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.361 0.982 . . . . 0.68 109.192 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -159.94 154.76 24.43 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.12 -1.419 . . . . 0.62 110.284 -169.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -118.62 84.04 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 120.399 1.454 . . . . 0.68 111.313 -169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -38.84 71.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 112.589 0.588 . . . . 0.71 112.589 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.57 -35.14 78.45 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 119.117 -1.033 . . . . 0.71 109.787 -173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -56.15 -52.6 63.79 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 108.211 -1.033 . . . . 0.68 108.211 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.4 -30.85 31.2 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 118.07 -0.967 . . . . 0.62 112.749 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -41.2 -41.74 1.91 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.069 0.849 . . . . 0.76 111.047 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.7 m -66.16 -18.6 65.45 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 115.168 1.544 . . . . 0.62 115.168 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -55.94 -62.55 4.48 Favored Pre-proline 0 C--N 1.351 0.669 0 CA-C-O 116.608 -1.663 . . . . 0.62 111.531 -175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -50.57 -54.25 5.77 Favored 'Trans proline' 0 C--N 1.358 1.065 0 CA-C-N 124.306 2.574 . . . . 0.53 115.371 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -76.9 68.3 7.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 CA-C-N 124.468 2.631 . . . . 0.53 110.44 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -161.25 -61.32 0.05 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.642 -0.873 . . . . 0.62 108.642 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -70.87 -36.34 72.77 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.909 -1.043 . . . . 0.82 109.804 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.7 66.1 0.34 Allowed Glycine 0 C--N 1.357 1.707 0 CA-C-O 118.845 -0.975 . . . . 0.62 110.696 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -170.56 159.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.128 -1.415 . . . . 0.62 110.082 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' C ' HD12 ' A' ' 77' ' ' LEU . 8.2 p30 -136.16 164.86 27.07 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 120.395 1.452 . . . . 0.68 111.693 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 76' ' ' ASN . 7.0 mp -117.88 158.86 44.73 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 115.903 -1.999 . . . . 0.62 108.594 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -64.44 -29.58 62.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 CA-C-N 123.878 2.421 . . . . 0.53 110.472 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -144.94 159.02 43.59 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.23 1.377 . . . . 0.62 109.407 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.6 p -77.41 -75.37 0.21 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.882 1.219 . . . . 0.62 110.864 -172.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 tt -162.49 142.6 2.74 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-O 117.885 -1.055 . . . . 0.62 111.492 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -93.85 45.47 1.15 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.47 1.486 . . . . 0.62 114.126 -173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.0 mt -101.03 -56.09 2.4 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 107.663 -1.236 . . . . 0.62 107.663 171.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 84' ' ' ASN . 1.0 OUTLIER -114.67 21.88 14.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 117.622 -1.18 . . . . 0.68 111.306 173.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.255 4.5 mp -129.26 -97.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-O 116.352 -1.785 . . . . 0.62 108.045 175.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -165.24 158.47 16.44 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 122.825 2.557 . . . . 0.71 113.629 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.28 -18.64 59.46 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.374 -1.774 . . . . 0.82 114.049 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t 52.69 56.48 7.57 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.22 1.827 . . . . 0.62 109.805 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -74.59 70.95 1.84 Allowed 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.831 -0.803 . . . . 0.76 108.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.353 0.724 0 N-CA-C 107.036 -1.468 . . . . 0.62 107.036 178.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.362 11.9 pt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 115.63 -2.128 . . . . 0.62 110.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 t0 44.81 49.05 9.05 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.514 2.87 . . . . 0.71 111.412 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 t 44.22 53.79 6.46 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 112.499 0.555 . . . . 0.82 112.499 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.06 -66.74 0.03 OUTLIER Glycine 0 C--N 1.351 1.382 0 N-CA-C 108.852 -1.699 . . . . 0.62 108.852 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -57.43 -43.04 83.51 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.509 -0.877 . . . . 0.62 108.691 174.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.53 -54.52 14.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.04 -0.726 . . . . 0.62 109.04 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.498 ' OD1' ' SG ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -52.83 -49.79 65.02 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 120.664 -0.414 . . . . 0.71 110.148 -174.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.1 t -55.59 -49.29 73.15 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.664 -0.815 . . . . 0.62 111.063 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.91 -33.36 75.52 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.991 -1.004 . . . . 0.62 112.794 -174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.4 -23.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 120.693 1.588 . . . . 0.62 111.533 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -43.66 -58.21 4.79 Favored Pre-proline 0 C--N 1.354 0.77 0 CA-C-N 121.681 2.037 . . . . 0.76 113.158 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.25 -26.47 72.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 CA-C-N 124.195 2.534 . . . . 0.53 112.54 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.5 m -67.5 -41.56 84.29 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.876 1.216 . . . . 0.82 109.995 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.2 mt -44.46 -44.65 8.65 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.461 -0.781 . . . . 0.62 112.212 -176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -48.29 -53.22 18.04 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 119.677 1.126 . . . . 0.62 112.087 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.04 -48.53 14.23 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 120.463 -0.495 . . . . 0.62 110.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.41 -47.63 35.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 123.246 0.341 . . . . 0.62 111.649 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.54 -50.64 72.72 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 108.128 -1.064 . . . . 0.68 108.128 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.38 88.71 0.07 OUTLIER Glycine 0 C--N 1.353 1.481 0 N-CA-C 109.506 -1.438 . . . . 0.62 109.506 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.74 -175.11 42.87 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 117.514 -1.714 . . . . 0.62 113.663 -173.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -85.18 -179.54 3.61 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 120.602 2.201 . . . . 0.53 111.688 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.32 -132.79 11.32 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-O 115.869 -2.628 . . . . 0.62 109.572 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -75.39 -177.6 21.12 Favored 'Cis proline' 0 C--N 1.359 1.111 0 CA-C-N 123.749 3.774 . . . . 0.53 110.17 0.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -64.43 154.54 35.39 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.423 -0.911 . . . . 0.62 110.476 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.64 50.68 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 119.871 -1.157 . . . . 0.62 111.694 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -48.29 -39.93 23.33 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.186 0.993 . . . . 0.68 110.259 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 36.6 t -62.81 -47.85 81.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.669 -1.158 . . . . 0.82 110.615 176.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.47 -43.36 93.24 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.252 1.387 . . . . 0.82 110.038 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.91 -47.06 83.95 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 107.993 -1.114 . . . . 0.71 107.993 171.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.03 -35.58 41.22 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 117.74 -1.589 . . . . 0.62 111.612 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.16 -44.57 95.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 CA-C-N 121.215 2.507 . . . . 0.62 109.19 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -50.45 -58.08 6.56 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.187 -1.005 . . . . 0.62 108.423 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -64.44 -55.26 22.04 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.433 -0.794 . . . . 0.68 112.107 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.4 mt -37.03 -59.14 0.74 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.484 1.038 . . . . 0.62 111.484 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -66.95 -37.46 84.32 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.221 -0.992 . . . . 0.62 111.854 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -57.92 -38.26 75.58 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 119.494 -0.882 . . . . 0.68 110.276 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -90.43 34.05 0.89 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.51 0.93 . . . . 0.68 113.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' CB ' ' C20' ' A' ' 91' ' ' E2P . . . -148.25 54.02 1.02 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.3 0.955 . . . . 0.62 110.897 178.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -112.63 -49.64 2.93 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 118.391 -0.814 . . . . 0.76 110.936 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 t -64.12 153.19 38.44 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.275 1.398 . . . . 0.62 109.293 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.42 -54.91 37.86 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.153 0.888 . . . . 0.68 109.437 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -46.84 -47.71 21.13 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.922 0.783 . . . . 0.62 111.21 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -57.43 -46.23 83.77 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 119.687 -0.805 . . . . 0.71 109.966 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -64.4 -36.36 83.89 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.332 -0.842 . . . . 0.76 109.926 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.15 -50.85 66.54 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.118 1.327 . . . . 0.68 108.887 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.8 m -50.08 -49.76 50.4 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.871 0.759 . . . . 0.62 110.079 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.24 79.85 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.21 -0.996 . . . . 0.62 109.979 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 35.4 t -49.49 -48.57 47.82 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.137 1.335 . . . . 0.82 111.128 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -58.15 -45.34 87.56 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 119.168 -1.013 . . . . 0.68 108.572 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.498 ' SG ' ' OD1' ' A' ' 7' ' ' ASP . 2.0 t -58.61 -41.03 84.92 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.51 -0.876 . . . . 0.82 110.82 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 79' ' ' TYR . 89.0 mt -58.0 -45.59 86.61 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 108.16 -1.052 . . . . 0.62 108.16 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -60.34 -46.14 90.97 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 118.58 -1.248 . . . . 0.62 108.726 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.33 -47.28 91.89 Favored Glycine 0 C--N 1.351 1.397 0 C-N-CA 119.46 -1.352 . . . . 0.62 112.106 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.7 -64.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.784 1.292 . . . . 0.62 110.372 -174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -62.59 -61.18 2.61 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.614 1.097 . . . . 0.62 111.448 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -71.16 -41.65 70.13 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.309 -0.957 . . . . 0.76 108.974 -172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.23 -47.82 54.78 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 110.305 -1.118 . . . . 0.62 110.305 175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.1 mt -77.66 76.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 105.381 -2.081 . . . . 0.62 105.381 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -75.94 64.72 1.91 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.76 -1.2 . . . . 0.62 107.76 175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.91 64.59 0.02 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.032 -1.47 . . . . 0.68 107.032 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -144.97 139.0 27.21 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.712 -1.137 . . . . 0.62 108.428 -166.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -75.89 74.31 2.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 120.161 1.346 . . . . 0.68 109.59 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -45.57 -51.18 12.34 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.978 -0.534 . . . . 0.71 112.346 -173.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.46 -58.42 7.1 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 119.037 0.835 . . . . 0.71 111.416 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.62 -47.95 80.77 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.164 -1.014 . . . . 0.68 108.352 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.14 26.32 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.467 -0.493 . . . . 0.62 110.385 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -59.01 -31.08 68.49 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.541 -0.742 . . . . 0.76 110.692 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.9 t -60.21 -25.23 65.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 116.995 -1.479 . . . . 0.62 113.876 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.0 mt -50.52 -61.75 3.47 Favored Pre-proline 0 C--N 1.355 0.836 0 CA-C-N 122.124 2.238 . . . . 0.62 111.635 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -49.5 -58.15 1.91 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 123.038 2.121 . . . . 0.53 116.836 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -78.76 60.79 7.83 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 124.593 2.676 . . . . 0.53 110.088 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -168.99 -58.16 0.02 OUTLIER 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.983 -1.488 . . . . 0.62 106.983 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.23 -45.76 79.54 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.97 -1.092 . . . . 0.82 108.375 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.16 71.44 0.08 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 118.01 -1.439 . . . . 0.62 112.751 171.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 p -174.42 154.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.842 0 CA-C-O 116.868 -1.539 . . . . 0.62 109.343 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -139.47 74.75 1.48 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 120.766 1.621 . . . . 0.68 113.034 -172.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -28.97 156.74 0.02 OUTLIER Pre-proline 0 C--N 1.353 0.744 0 N-CA-C 119.399 3.111 . . . . 0.62 119.399 170.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -79.64 -24.7 5.99 Favored 'Trans proline' 0 C--N 1.365 1.427 0 CA-C-N 122.302 1.858 . . . . 0.53 113.007 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 3.4 p90 -143.54 160.31 40.86 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.173 2.261 . . . . 0.62 110.644 171.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.7 p -89.42 -72.15 0.57 Allowed 'General case' 0 C--N 1.356 0.873 0 N-CA-C 116.325 1.972 . . . . 0.62 116.325 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.1 tt -171.24 156.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 116.384 -1.769 . . . . 0.62 111.092 -166.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.1 t -94.64 53.62 1.67 Allowed 'General case' 0 C--N 1.36 1.045 0 CA-C-N 121.641 2.019 . . . . 0.62 113.4 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -111.73 127.52 55.81 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 104.211 -2.514 . . . . 0.62 104.211 168.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.0 t30 60.98 13.59 4.68 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.778 1.627 . . . . 0.68 113.654 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -155.44 165.56 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.067 -1.457 . . . . 0.62 107.067 175.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -119.17 58.33 0.86 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 120.301 1.409 . . . . 0.71 109.858 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.5 m 66.0 173.4 0.23 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 112.167 0.432 . . . . 0.82 112.167 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.1 t -121.62 60.94 0.94 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.354 -1.35 . . . . 0.62 107.354 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.2 143.69 57.09 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.72 -1.134 . . . . 0.76 109.422 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.355 0.808 0 CA-C-N 119.382 0.992 . . . . 0.62 109.271 175.034 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . 0.403 ' C20' ' CB ' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.5 pt . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 117.87 -1.062 . . . . 0.62 110.026 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 4' ' ' GLY . 18.3 m-20 38.0 87.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 N-CA-C 114.332 1.234 . . . . 0.71 114.332 167.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 t -63.13 78.79 0.02 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.114 0.87 . . . . 0.82 109.248 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 172.16 -54.4 0.17 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 108.991 -1.644 . . . . 0.62 108.991 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -62.17 -48.07 81.7 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.518 -0.919 . . . . 0.62 108.518 168.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.7 t -48.37 -56.58 2.01 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 N-CA-C 109.137 -0.69 . . . . 0.62 109.137 172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.26 -50.03 65.66 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.613 -0.835 . . . . 0.71 109.266 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -44.08 -46.86 8.78 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.107 -0.996 . . . . 0.62 112.011 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.7 -17.0 60.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.204 -1.379 . . . . 0.62 113.803 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.75 -25.44 15.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 121.724 2.056 . . . . 0.62 110.387 176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.0 mpt_? -47.67 -52.81 35.47 Favored Pre-proline 0 C--N 1.353 0.746 0 CA-C-N 121.194 1.815 . . . . 0.76 112.325 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 31.9 Cg_endo -56.51 -29.3 77.88 Favored 'Trans proline' 0 C--N 1.358 1.044 0 CA-C-N 124.031 2.475 . . . . 0.53 113.057 175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.0 m -78.34 -30.62 48.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.785 1.175 . . . . 0.82 112.178 172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -48.79 -40.54 29.35 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 113.257 0.836 . . . . 0.62 113.257 -170.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.6 m -55.7 -51.33 67.68 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.526 1.057 . . . . 0.62 111.466 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -66.19 -45.17 81.77 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 108.898 -0.779 . . . . 0.62 108.898 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 t -49.05 -47.53 17.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 109.919 -0.4 . . . . 0.62 109.919 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.99 -54.88 39.48 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.142 -0.688 . . . . 0.68 109.142 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.5 87.22 0.06 OUTLIER Glycine 0 C--N 1.351 1.417 0 N-CA-C 109.14 -1.584 . . . . 0.62 109.14 -174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.28 179.0 44.15 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-O 117.11 -1.939 . . . . 0.62 112.063 -174.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -82.04 177.31 7.41 Favored 'Trans proline' 0 C--N 1.357 1.015 0 CA-C-N 120.989 2.395 . . . . 0.53 111.191 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -132.36 11.24 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 116.197 -2.446 . . . . 0.62 110.356 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -71.4 177.79 31.72 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.363 3.582 . . . . 0.53 112.233 3.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.9 p -57.06 156.41 7.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.157 -0.617 . . . . 0.62 111.889 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.55 -40.42 87.19 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 119.765 -1.207 . . . . 0.62 111.036 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -46.87 -41.9 16.53 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.371 1.085 . . . . 0.68 110.442 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.9 t -51.42 -42.37 61.45 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 116.608 -1.663 . . . . 0.82 110.08 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.7 m -58.3 -39.57 79.66 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 121.091 1.769 . . . . 0.82 111.395 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.2 -40.89 95.63 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 120.45 1.477 . . . . 0.71 107.97 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.56 -38.85 94.25 Favored Glycine 0 C--N 1.35 1.348 0 C-N-CA 119.466 -1.35 . . . . 0.62 112.258 172.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.57 -58.9 3.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.052 1.926 . . . . 0.62 110.114 -175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -56.14 -42.77 77.48 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.96 -0.696 . . . . 0.62 110.537 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.12 -50.54 61.09 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.969 0.804 . . . . 0.68 109.091 -176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.28 -59.95 3.03 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 109.717 -0.475 . . . . 0.62 109.717 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -56.48 -45.16 81.1 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.87 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -61.49 -47.09 87.24 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 119.695 -0.802 . . . . 0.68 111.782 -175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.91 38.88 0.54 Allowed 'General case' 0 C--N 1.352 0.674 0 N-CA-C 114.371 1.248 . . . . 0.68 114.371 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.61 58.88 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.257 1.389 . . . . 0.62 111.742 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -108.57 -48.81 3.26 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 113.601 0.963 . . . . 0.76 113.601 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t -68.2 167.89 13.34 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.597 1.544 . . . . 0.62 112.84 -172.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -79.89 67.11 5.58 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.817 -1.179 . . . . 0.68 107.817 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 t 175.54 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.35 0.624 0 N-CA-C 107.679 -1.23 . . . . 0.62 107.679 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.26 -49.34 67.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.459 -1.682 . . . . 0.71 106.459 169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -57.39 -44.01 84.14 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.635 -1.174 . . . . 0.76 111.726 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -50.74 -58.54 5.65 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 120.817 1.644 . . . . 0.68 108.537 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.1 m -54.99 -52.55 62.76 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.693 -0.803 . . . . 0.62 111.015 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -51.25 70.11 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 119.287 -0.965 . . . . 0.62 110.491 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 19.8 p -70.03 -28.86 65.82 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.333 -0.842 . . . . 0.82 113.183 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.85 -43.99 91.23 Favored 'General case' 0 C--N 1.351 0.638 0 N-CA-C 106.903 -1.517 . . . . 0.68 106.903 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -49.45 66.53 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.802 -1.094 . . . . 0.82 109.291 171.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.7 tm? -51.07 -57.71 7.97 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 121.098 1.772 . . . . 0.62 110.393 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -56.14 -46.87 79.08 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.291 -0.964 . . . . 0.62 109.329 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.93 -44.68 97.05 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 119.902 -1.142 . . . . 0.62 112.722 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.25 -72.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 118.651 1.226 . . . . 0.62 108.75 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.28 39.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 120.399 1.454 . . . . 0.62 112.721 -168.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.42 -41.55 80.21 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.164 -1.421 . . . . 0.76 107.164 -175.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.32 73.77 Favored Glycine 0 C--N 1.354 1.575 0 C-N-CA 119.703 -1.237 . . . . 0.62 111.053 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.9 142.99 13.85 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 118.655 1.228 . . . . 0.62 107.952 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -132.59 61.3 1.67 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.772 1.169 . . . . 0.62 109.319 -175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -179.17 65.36 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.502 -1.666 . . . . 0.68 106.502 -175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 61' ' ' LEU . 5.6 tt -151.21 135.22 16.62 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 118.026 -0.987 . . . . 0.62 110.167 -160.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -80.62 74.79 7.53 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.861 1.21 . . . . 0.68 110.275 -175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.33 -47.2 4.82 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 112.449 0.537 . . . . 0.71 112.449 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.1 -51.67 68.73 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.089 -1.044 . . . . 0.71 111.941 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 66' ' ' ALA . 10.0 p-10 -63.85 -38.91 92.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 119.869 1.213 . . . . 0.68 108.653 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 65' ' ' ASN . . . -52.9 -50.17 64.45 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.499 1.045 . . . . 0.62 109.393 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -62.16 -21.04 64.74 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.935 -1.031 . . . . 0.76 112.798 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -86.94 -5.67 59.02 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.943 -1.504 . . . . 0.62 113.969 172.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 75.7 mt -66.1 -47.76 61.35 Favored Pre-proline 0 C--N 1.356 0.889 0 CA-C-N 122.939 2.609 . . . . 0.62 111.495 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -44.55 -51.11 7.46 Favored 'Trans proline' 0 C--N 1.359 1.096 0 N-CA-C 118.24 2.362 . . . . 0.53 118.24 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -65.93 -19.35 58.23 Favored 'Trans proline' 0 C--N 1.362 1.252 0 CA-C-N 124.771 2.74 . . . . 0.53 112.419 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -56.88 -30.54 63.96 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.585 1.539 . . . . 0.62 108.498 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 51.0 m -132.77 52.0 2.11 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 118.708 0.685 . . . . 0.82 110.494 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.43 37.03 93.97 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 119.585 2.594 . . . . 0.62 119.585 162.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 m -145.75 174.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.213 2.506 . . . . 0.62 110.193 172.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -142.15 47.36 1.61 Allowed 'General case' 0 C--N 1.358 0.954 0 CA-C-N 119.755 1.161 . . . . 0.68 110.574 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 57.35 165.48 0.07 OUTLIER Pre-proline 0 C--N 1.356 0.873 0 CA-C-O 117.456 -1.259 . . . . 0.62 110.108 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.88 -17.08 32.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 124.454 2.626 . . . . 0.53 111.25 170.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -127.86 -75.15 0.57 Allowed 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.055 1.298 . . . . 0.62 108.867 175.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.7 p -152.43 -77.86 0.12 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.551 -1.214 . . . . 0.62 110.957 -171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.8 tp 167.23 96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.447 -1.316 . . . . 0.62 107.447 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -71.19 31.39 0.04 OUTLIER 'General case' 0 C--N 1.353 0.731 0 N-CA-C 118.48 2.77 . . . . 0.62 118.48 -164.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.8 -58.26 3.39 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 123.245 2.748 . . . . 0.62 106.754 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -100.62 24.77 8.57 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.387 -1.292 . . . . 0.68 112.923 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.34 -87.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 120.289 1.404 . . . . 0.62 108.648 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -178.11 162.27 1.58 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.899 -1.524 . . . . 0.71 108.495 -177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -47.38 -32.0 4.52 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 121.462 1.937 . . . . 0.82 110.032 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.7 t 60.4 82.96 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.939 1.245 . . . . 0.62 112.82 170.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -45.41 7.46 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 119.104 -0.474 . . . . 0.76 110.844 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.779 0.8 . . . . 0.62 109.424 -175.592 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 117.936 -1.03 . . . . 0.62 110.505 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.5 t0 110.63 62.38 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.484 -1.302 . . . . 0.71 107.484 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 t 36.95 44.68 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 119.05 -0.5 . . . . 0.82 112.079 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.11 -74.03 0.06 OUTLIER Glycine 0 C--N 1.354 1.539 0 N-CA-C 109.766 -1.334 . . . . 0.62 109.766 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -63.21 -54.8 31.74 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.363 1.582 . . . . 0.62 109.971 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -51.35 -53.83 13.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 N-CA-C 107.664 -1.235 . . . . 0.62 107.664 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.08 -44.3 64.3 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 120.525 -0.47 . . . . 0.71 111.548 -173.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -53.3 -38.47 63.17 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.538 -1.351 . . . . 0.62 111.616 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.8 mt -85.67 -3.91 59.02 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.138 -1.41 . . . . 0.62 113.216 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 m -85.15 -39.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 121.349 1.886 . . . . 0.62 108.71 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -37.87 -56.74 1.81 Allowed Pre-proline 0 C--N 1.352 0.708 0 CA-C-O 116.993 -1.48 . . . . 0.76 114.634 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.31 -28.36 87.42 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.033 2.476 . . . . 0.53 111.623 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -69.05 -42.14 76.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.583 1.083 . . . . 0.82 110.194 173.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -45.06 -48.48 11.81 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.925 0.784 . . . . 0.62 112.134 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 m -45.21 -50.54 11.49 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 119.35 0.977 . . . . 0.62 112.852 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.65 -46.17 17.69 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 120.793 -0.363 . . . . 0.62 110.888 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 t -55.19 -46.96 77.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 123.111 0.257 . . . . 0.62 111.178 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -51.29 -45.93 62.33 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.541 -0.911 . . . . 0.68 108.541 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.75 75.67 0.02 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 108.515 -1.834 . . . . 0.62 108.515 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -166.47 -173.79 35.19 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.598 -1.668 . . . . 0.62 113.752 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.28 -178.78 3.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 CA-C-N 120.416 2.108 . . . . 0.53 111.594 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.96 -137.73 14.66 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 115.925 -2.597 . . . . 0.62 109.088 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.68 -174.82 14.56 Favored 'Cis proline' 0 C--N 1.359 1.094 0 CA-C-N 123.843 3.821 . . . . 0.53 109.883 -0.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.7 m -67.7 152.71 45.15 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.11 -1.036 . . . . 0.62 109.126 173.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.49 -33.61 40.73 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.954 -1.117 . . . . 0.62 111.552 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -46.19 -38.82 8.83 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 117.937 0.869 . . . . 0.68 111.042 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.22 -40.84 94.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.842 1.201 . . . . 0.82 111.209 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.1 t -62.87 -51.31 67.5 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.644 1.565 . . . . 0.82 108.989 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.77 -32.09 70.28 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 118.573 -1.251 . . . . 0.71 108.007 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.84 -54.22 12.09 Favored Glycine 0 C--N 1.35 1.333 0 CA-C-O 117.527 -1.707 . . . . 0.62 109.379 169.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -48.38 -50.05 12.35 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 120.27 2.035 . . . . 0.62 108.166 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -49.96 72.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.586 -0.721 . . . . 0.62 110.788 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -68.55 -54.13 18.6 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.976 1.262 . . . . 0.68 109.763 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mp -37.37 -60.21 0.69 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 117.936 0.335 . . . . 0.62 110.178 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -56.47 -47.51 79.03 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 120.103 -0.639 . . . . 0.62 110.684 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -56.57 -39.61 73.79 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.878 -1.058 . . . . 0.68 111.819 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . 0.271 0.1 OUTLIER -112.82 37.88 2.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.984 0.811 . . . . 0.68 112.477 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.93 57.92 0.75 Allowed 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.118 -1.438 . . . . 0.62 107.118 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' NH2' ' A' ' 44' ' ' ARG . 26.1 mmm180 -116.69 -56.22 2.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 118.581 -0.723 . . . . 0.76 112.408 -168.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 t -65.72 156.4 33.13 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.882 1.674 . . . . 0.62 109.913 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.88 -41.76 78.6 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 119.956 1.253 . . . . 0.68 107.9 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.8 t -50.91 -46.08 60.56 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.02 -0.672 . . . . 0.62 110.924 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.9 -45.99 85.63 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 108.949 -0.76 . . . . 0.71 108.949 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -59.4 -48.44 81.64 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.71 -0.662 . . . . 0.76 109.422 179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -58.94 -55.45 34.94 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 119.311 0.96 . . . . 0.68 109.606 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.6 m -51.38 -52.98 41.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 C-N-CA 120.427 -0.509 . . . . 0.62 111.39 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.07 -53.05 51.67 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 119.531 -0.867 . . . . 0.62 110.63 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.16 -50.09 30.15 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.997 -0.681 . . . . 0.82 109.852 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -67.13 -40.54 86.82 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 109.225 -0.658 . . . . 0.68 109.225 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.4 t -51.59 -47.47 63.56 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.522 -0.918 . . . . 0.82 108.522 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.32 -41.58 89.47 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.494 -0.882 . . . . 0.62 111.535 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -52.29 -33.29 41.54 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.559 -1.275 . . . . 0.62 107.559 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.89 -58.16 4.95 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.511 -1.161 . . . . 0.62 112.225 167.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.51 -89.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.926 0 CA-C-N 119.523 1.662 . . . . 0.62 109.994 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.44 -49.49 5.25 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 122.038 2.199 . . . . 0.62 113.275 -169.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -65.76 -39.91 91.51 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 118.949 -1.1 . . . . 0.76 109.053 -176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.82 -24.55 76.3 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 117.923 -1.487 . . . . 0.62 113.421 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.8 mm -64.72 86.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.566 2.183 . . . . 0.62 106.551 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.06 55.2 0.56 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.719 1.145 . . . . 0.62 111.986 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 t30 179.84 62.15 0.01 OUTLIER 'General case' 0 C--N 1.352 0.702 0 N-CA-C 106.329 -1.73 . . . . 0.68 106.329 -172.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 tt -122.62 108.39 13.05 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 108.168 -1.049 . . . . 0.62 108.168 -167.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -74.09 74.82 1.74 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.881 1.219 . . . . 0.68 108.642 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.68 -37.81 63.56 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 113.284 0.846 . . . . 0.71 113.284 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.72 -53.56 39.24 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.442 -0.903 . . . . 0.71 109.199 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -55.33 -48.41 74.24 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.499 -0.88 . . . . 0.68 108.626 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.39 56.8 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.33 -0.843 . . . . 0.62 112.07 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -29.84 6.02 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 117.678 -1.153 . . . . 0.76 111.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.9 t -62.91 -26.01 68.6 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.733 1.606 . . . . 0.62 113.6 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 63.2 mt -55.47 -58.64 14.35 Favored Pre-proline 0 C--N 1.353 0.749 0 CA-C-O 116.152 -1.88 . . . . 0.62 113.318 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.01 -55.39 3.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 123.924 2.437 . . . . 0.53 116.261 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 73' ' ' CYS . 58.3 Cg_endo -72.06 -164.16 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 124.633 2.69 . . . . 0.53 106.058 171.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp 64.85 -71.59 0.07 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-N 122.857 2.572 . . . . 0.62 108.555 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' PRO . 31.4 t -66.66 -42.44 86.62 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.6 1.545 . . . . 0.82 108.921 169.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.75 56.84 0.8 Allowed Glycine 0 C--N 1.356 1.66 0 CA-C-O 118.91 -0.939 . . . . 0.62 113.423 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -168.88 157.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 116.215 -1.85 . . . . 0.62 108.933 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -148.51 172.73 14.02 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 122.496 2.407 . . . . 0.68 113.912 -173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.54 167.13 11.97 Favored Pre-proline 0 C--N 1.359 1.006 0 CA-C-O 115.719 -2.086 . . . . 0.62 110.806 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -79.05 -11.15 15.04 Favored 'Trans proline' 0 C--N 1.364 1.392 0 CA-C-N 123.709 2.36 . . . . 0.53 113.938 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 2.0 p90 -148.73 168.38 23.06 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 123.201 2.728 . . . . 0.62 113.392 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 p -63.49 -33.66 76.06 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 114.058 1.132 . . . . 0.62 114.058 -171.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 68.4 160.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 119.994 1.27 . . . . 0.62 113.976 171.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 t -73.13 62.22 0.64 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.844 1.794 . . . . 0.62 115.844 -173.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.19 74.51 1.04 Allowed 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.169 -1.789 . . . . 0.62 106.169 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 82.76 22.85 0.18 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 113.252 0.834 . . . . 0.68 113.252 -178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.56 -128.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 103.063 -2.94 . . . . 0.62 103.063 169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' O ' ' SG ' ' A' ' 87' ' ' CYS . 8.2 t0 -142.78 -82.73 0.18 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-N 124.004 3.093 . . . . 0.71 108.003 158.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 86' ' ' ASP . 88.7 m -156.1 -58.7 0.1 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-N 121.079 1.763 . . . . 0.82 114.52 -174.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 t 55.26 72.94 0.45 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 106.13 -1.804 . . . . 0.62 106.13 -168.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -51.88 -55.54 19.5 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.95 -0.759 . . . . 0.76 108.95 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.351 0.664 0 N-CA-C 109.613 -0.514 . . . . 0.62 109.613 -178.611 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 118.098 -0.953 . . . . 0.62 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.88 41.63 0.1 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.494 1.952 . . . . 0.71 115.534 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 1.8 t 43.63 41.34 3.44 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 121.311 1.869 . . . . 0.82 110.341 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 -55.06 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 C-N-CA 119.842 -1.17 . . . . 0.62 114.716 -164.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -57.18 -44.32 83.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.975 2.387 . . . . 0.62 108.796 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.8 t -46.41 -53.06 2.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 N-CA-C 109.512 -0.551 . . . . 0.62 109.512 168.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' OD1' ' NH1' ' A' ' 11' ' ' ARG . 39.2 t0 -52.71 -47.32 67.38 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.571 -0.852 . . . . 0.71 110.082 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -55.56 -44.57 76.94 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.767 -0.773 . . . . 0.62 111.02 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.0 -23.96 62.29 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.11 -1.424 . . . . 0.62 112.688 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 17.7 m -74.78 -33.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-N 121.87 2.123 . . . . 0.62 111.282 175.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' NH1' ' OD1' ' A' ' 7' ' ' ASP . 7.0 mpt_? -34.04 -60.35 0.48 Allowed Pre-proline 0 C--N 1.353 0.728 0 CA-C-N 121.673 2.033 . . . . 0.76 114.768 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -60.89 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 123.163 2.165 . . . . 0.53 112.118 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 30.4 m -72.37 -37.66 68.7 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.424 1.011 . . . . 0.82 110.959 173.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -50.85 -35.85 34.64 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.994 -1.003 . . . . 0.62 112.284 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -47.69 -48.17 29.43 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.276 1.398 . . . . 0.62 110.646 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -79.81 -40.12 29.26 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 119.041 -0.504 . . . . 0.62 111.687 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.92 -47.67 82.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 N-CA-C 107.394 -1.336 . . . . 0.62 107.394 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -68.29 -49.63 59.18 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 109.471 -0.566 . . . . 0.68 109.471 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.82 97.4 0.12 Allowed Glycine 0 C--N 1.351 1.416 0 N-CA-C 110.115 -1.194 . . . . 0.62 110.115 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.79 172.87 45.2 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 117.21 -1.884 . . . . 0.62 112.437 -176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -83.2 175.41 8.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 CA-C-N 120.852 2.326 . . . . 0.53 111.097 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.2 -125.06 7.47 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-O 115.961 -2.577 . . . . 0.62 110.495 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.36 178.84 29.37 Favored 'Cis proline' 0 C--N 1.36 1.142 0 CA-C-N 123.641 3.72 . . . . 0.53 110.958 3.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -58.76 163.06 3.56 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 113.201 0.815 . . . . 0.62 113.201 -176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.44 91.89 Favored Glycine 0 C--N 1.352 1.466 0 N-CA-C 109.458 -1.457 . . . . 0.62 109.458 174.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -49.76 -46.96 51.18 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 117.938 0.869 . . . . 0.68 109.877 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' VAL . 11.6 t -59.53 -46.06 89.97 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.846 -1.55 . . . . 0.82 109.523 176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.1 -35.69 75.78 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.029 1.741 . . . . 0.82 111.417 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.97 -45.98 91.27 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 120.691 1.587 . . . . 0.71 107.523 168.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.72 -36.91 50.37 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-O 117.827 -1.54 . . . . 0.62 112.542 173.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' CYS . 44.6 t -61.11 -56.37 18.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 121.173 2.487 . . . . 0.62 109.264 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.257 0.0 OUTLIER -58.68 -41.2 85.66 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.136 -1.026 . . . . 0.62 110.015 -179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.64 -53.5 50.48 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.16 1.346 . . . . 0.68 110.993 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.46 -59.76 2.28 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 119.169 -0.443 . . . . 0.62 110.853 -176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -62.13 -27.51 68.99 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.181 -1.008 . . . . 0.62 112.658 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -66.14 -45.13 82.12 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.587 1.085 . . . . 0.68 108.473 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.36 56.31 3.93 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.353 0.524 . . . . 0.68 111.734 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.02 22.91 0.96 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 114.62 1.341 . . . . 0.62 114.62 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -112.43 -56.08 2.44 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.818 1.19 . . . . 0.76 109.889 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t -51.11 145.16 8.03 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.345 0.975 . . . . 0.62 110.731 -176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -50.56 -48.41 57.42 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.978 0.808 . . . . 0.68 111.648 -173.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.1 t -60.35 -52.24 66.08 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.693 1.133 . . . . 0.62 110.465 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -54.17 25.18 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.077 0.853 . . . . 0.71 109.848 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -63.36 -51.62 65.15 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 119.958 -0.697 . . . . 0.76 111.475 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -59.81 -56.74 18.07 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 119.247 0.93 . . . . 0.68 110.492 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -63.42 -46.94 84.03 Favored 'General case' 0 CA--C 1.507 -0.689 0 C-N-CA 120.236 -0.586 . . . . 0.62 109.535 -172.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.2 71.87 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 118.803 -1.159 . . . . 0.62 109.858 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 87' ' ' CYS . 5.2 t -55.23 -36.3 65.87 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.587 1.085 . . . . 0.82 110.161 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -59.5 -50.24 74.69 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.298 -0.961 . . . . 0.68 110.373 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 25.9 m -65.64 -44.32 86.74 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.561 -0.856 . . . . 0.82 109.669 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -34.23 -63.39 0.29 Allowed 'General case' 0 C--N 1.35 0.61 0 CA-C-N 118.755 0.707 . . . . 0.62 112.218 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -63.8 -45.35 90.06 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.558 -1.257 . . . . 0.62 109.581 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.83 -35.43 53.05 Favored Glycine 0 C--N 1.351 1.374 0 C-N-CA 119.702 -1.237 . . . . 0.62 113.198 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.7 mt -76.36 -55.18 11.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 CA-C-N 119.17 1.485 . . . . 0.62 109.915 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.09 -56.46 2.28 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.35 -0.833 . . . . 0.62 112.622 -163.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -55.02 -54.82 38.16 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 120.762 1.619 . . . . 0.76 107.627 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.54 80.08 1.33 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.463 -1.187 . . . . 0.62 110.545 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 tt -147.09 155.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-N 118.929 1.365 . . . . 0.62 110.188 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -43.54 -57.48 3.1 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.025 1.284 . . . . 0.62 113.231 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -155.81 156.43 34.74 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.287 0.949 . . . . 0.68 110.687 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 tt -162.64 159.77 24.9 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.004 -1.474 . . . . 0.62 110.367 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -114.15 88.09 2.77 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-N 120.303 1.411 . . . . 0.68 110.092 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -62.78 -45.89 90.57 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 121.827 -0.546 . . . . 0.71 110.669 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.06 -35.66 80.99 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 118.875 -1.13 . . . . 0.71 110.089 -173.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -61.04 -53.05 62.01 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.101 -1.074 . . . . 0.68 108.101 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.6 17.53 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 118.463 0.574 . . . . 0.62 111.412 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -39.01 -40.32 0.65 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 112.808 0.67 . . . . 0.76 112.808 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.3 t -70.46 -25.08 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.667 0.988 . . . . 0.62 113.667 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.11 -59.07 7.06 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.194 -1.86 . . . . 0.62 112.029 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -47.17 -58.48 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 123.908 2.431 . . . . 0.53 115.303 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.5 -24.96 21.73 Favored 'Trans proline' 0 C--N 1.359 1.088 0 CA-C-N 124.285 2.566 . . . . 0.53 112.049 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -79.67 67.42 5.43 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.705 1.593 . . . . 0.62 108.883 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 m 141.53 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.357 0.909 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.11 70.54 0.7 Allowed Glycine 0 C--N 1.356 1.649 0 CA-C-O 118.749 -1.029 . . . . 0.62 115.556 163.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.63 160.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-O 117.187 -1.387 . . . . 0.62 109.554 169.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -130.86 167.53 18.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.887 1.221 . . . . 0.68 109.228 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD22 ' O21' ' A' ' 91' ' ' E2P . 20.7 mt -92.94 153.54 41.92 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.741 -1.6 . . . . 0.62 111.895 -177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -63.5 -15.65 49.79 Favored 'Trans proline' 0 C--N 1.361 1.204 0 CA-C-N 121.941 1.729 . . . . 0.53 113.846 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -141.63 79.58 1.69 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.662 2.028 . . . . 0.62 112.136 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.9 p 54.68 -152.96 0.32 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.13 -1.414 . . . . 0.62 110.419 167.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.71 119.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 121.697 2.044 . . . . 0.62 105.605 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -85.55 29.38 0.69 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 121.643 2.02 . . . . 0.62 115.354 -166.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 3.0 mp -93.4 80.92 4.38 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 103.661 -2.718 . . . . 0.62 103.661 170.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' LEU . 68.0 m-20 119.6 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 125.102 1.501 . . . . 0.68 108.403 -175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.74 152.73 6.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 106.755 -1.572 . . . . 0.62 106.755 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.63 168.08 2.38 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.158 1.345 . . . . 0.71 111.337 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -59.3 -33.55 71.23 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.505 1.048 . . . . 0.82 110.058 -177.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.3 m 52.51 71.22 0.49 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.692 1.133 . . . . 0.62 109.405 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.4 mtm180 -91.46 5.58 48.86 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.487 -1.244 . . . . 0.76 113.917 -170.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.356 0.848 0 CA-C-N 120.384 1.447 . . . . 0.62 110.692 -175.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . 0.466 ' O21' HD22 ' A' ' 77' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 CA-C-O 118.928 -0.558 . . . . 0.62 110.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -158.4 54.55 0.44 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.682 0.674 . . . . 0.71 109.914 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.3 t 48.95 43.95 22.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.899 -0.721 . . . . 0.82 109.707 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.66 -66.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.512 0 N-CA-C 108.885 -1.686 . . . . 0.62 108.885 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -53.82 -44.64 70.41 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 118.562 1.181 . . . . 0.62 108.433 169.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.466 -0.568 . . . . 0.62 109.466 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -52.19 -47.81 65.37 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.63 -0.828 . . . . 0.71 110.78 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 m -47.19 -42.37 19.81 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 121.167 -0.958 . . . . 0.62 112.05 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -79.23 -18.56 52.63 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.427 -1.273 . . . . 0.62 113.193 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.08 -33.58 20.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 CA-C-N 121.405 1.911 . . . . 0.62 110.491 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -41.97 -54.82 6.79 Favored Pre-proline 0 C--N 1.351 0.658 0 CA-C-O 116.619 -1.658 . . . . 0.76 112.858 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.83 -26.15 60.02 Favored 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 124.446 2.624 . . . . 0.53 112.862 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 m -72.23 -26.82 62.17 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.007 1.276 . . . . 0.82 111.708 175.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.4 mt -54.4 -36.82 64.36 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.724 1.147 . . . . 0.62 113.085 -171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 m -47.4 -43.72 23.76 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.923 1.238 . . . . 0.62 111.435 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' ND2' ' A' ' 65' ' ' ASN . 7.2 t80 -81.38 -46.08 15.17 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 119.107 -0.473 . . . . 0.62 110.655 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.7 t -51.59 -46.49 37.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 108.238 -1.023 . . . . 0.62 108.238 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -74.79 -49.97 18.92 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.801 -0.619 . . . . 0.68 109.801 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.23 99.15 0.13 Allowed Glycine 0 C--N 1.352 1.421 0 CA-C-O 118.431 -1.205 . . . . 0.62 111.217 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.01 165.29 33.12 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.273 -1.848 . . . . 0.62 112.756 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -84.87 173.64 8.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 CA-C-N 121.053 2.426 . . . . 0.53 112.252 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.73 -116.12 5.07 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-O 116.253 -2.415 . . . . 0.62 110.6 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.0 178.44 33.43 Favored 'Cis proline' 0 C--N 1.36 1.173 0 CA-C-N 123.575 3.688 . . . . 0.53 110.862 -0.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -54.94 166.7 0.47 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 114.144 1.164 . . . . 0.62 114.144 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.48 -49.24 61.66 Favored Glycine 0 C--N 1.354 1.571 0 N-CA-C 109.796 -1.322 . . . . 0.62 109.796 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -55.63 -42.86 75.54 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 118.324 1.062 . . . . 0.68 109.147 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.99 -44.07 91.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 116.726 -1.607 . . . . 0.82 109.609 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 77.9 m -56.7 -45.57 81.75 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 121.38 1.9 . . . . 0.82 109.975 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.84 -42.99 80.67 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 118.835 -1.146 . . . . 0.71 108.41 172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -53.52 -45.22 67.35 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-O 118.285 -1.286 . . . . 0.62 111.218 172.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -55.66 -49.15 75.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 120.711 2.255 . . . . 0.62 108.064 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -58.95 5.31 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.282 -0.636 . . . . 0.62 109.282 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -65.99 -60.06 3.21 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.188 -0.911 . . . . 0.68 110.76 -175.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' GLY . 28.7 mt -33.34 -55.0 0.42 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 119.236 0.926 . . . . 0.62 112.603 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -67.16 -39.7 86.52 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.672 1.124 . . . . 0.62 110.514 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.45 -44.45 78.64 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 118.213 0.46 . . . . 0.68 109.907 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -82.17 26.22 0.55 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 112.689 0.626 . . . . 0.68 112.689 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.86 55.19 1.48 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.524 -1.287 . . . . 0.62 107.524 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -118.04 -51.55 2.44 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 117.986 -1.007 . . . . 0.76 112.941 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -64.45 158.48 23.75 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 121.314 1.87 . . . . 0.62 109.673 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -53.93 -45.66 71.27 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.395 0.998 . . . . 0.68 111.407 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.4 m -63.3 -46.93 84.43 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.376 0.989 . . . . 0.62 109.251 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -46.76 64.94 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 109.084 -0.71 . . . . 0.71 109.084 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -66.42 -37.24 84.76 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.27 -1.348 . . . . 0.76 110.288 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -55.7 -57.88 10.14 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.849 1.659 . . . . 0.68 108.748 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -64.17 -52.37 59.32 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 119.36 -0.936 . . . . 0.62 110.053 -173.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.82 -45.35 67.22 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 119.519 -0.872 . . . . 0.62 110.145 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.3 m -63.17 -42.32 99.38 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.09 -0.957 . . . . 0.82 112.394 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -54.76 -47.93 73.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.868 1.213 . . . . 0.68 108.712 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.75 -45.68 89.15 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 119.021 -1.071 . . . . 0.82 110.177 173.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.45 -56.67 13.5 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 120.044 1.293 . . . . 0.62 109.013 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -59.41 -52.49 65.4 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.184 -1.006 . . . . 0.62 110.093 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.95 -51.6 56.24 Favored Glycine 0 C--N 1.352 1.425 0 C-N-CA 120.146 -1.026 . . . . 0.62 112.762 -172.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.8 -49.36 40.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 118.168 0.984 . . . . 0.62 108.676 -177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.39 -59.47 2.45 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.823 1.192 . . . . 0.62 113.69 -171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -66.7 -38.57 87.0 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.129 1.331 . . . . 0.76 108.594 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.34 71.05 2.08 Favored Glycine 0 C--N 1.352 1.449 0 C-N-CA 119.86 -1.162 . . . . 0.62 110.832 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.3 tt -155.97 162.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.096 1.448 . . . . 0.62 110.112 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -68.17 -64.53 0.84 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.597 1.544 . . . . 0.62 111.637 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -135.87 148.13 48.5 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.283 -1.341 . . . . 0.68 110.183 -174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -165.66 131.2 2.51 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.608 -1.187 . . . . 0.62 110.165 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -80.81 78.01 7.63 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.443 1.474 . . . . 0.68 109.931 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -38.64 55.45 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.879 -1.058 . . . . 0.71 113.514 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 -41.15 88.17 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 120.897 1.68 . . . . 0.71 109.681 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 16' ' ' TYR . 61.9 t30 -58.55 -47.52 83.93 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.68 107.23 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.05 -43.1 66.4 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.286 -0.965 . . . . 0.62 110.824 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm105 -63.1 -34.51 77.76 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.608 -0.711 . . . . 0.76 110.561 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 t -64.64 -26.62 68.47 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 119.614 1.097 . . . . 0.62 112.831 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.6 mt -49.1 -58.94 7.33 Favored Pre-proline 0 C--N 1.353 0.754 0 CA-C-N 120.608 1.549 . . . . 0.62 112.432 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -49.56 -59.88 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 CA-C-N 123.549 2.303 . . . . 0.53 113.934 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -79.97 66.04 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 CA-C-N 124.898 2.785 . . . . 0.53 110.147 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.309 -1.329 . . . . 0.62 110.995 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.2 t -132.84 40.93 3.21 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.082 1.31 . . . . 0.82 111.658 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.88 -95.62 0.12 Allowed Glycine 0 C--N 1.356 1.687 0 C-N-CA 119.524 -1.322 . . . . 0.62 115.763 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 m -161.58 167.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-N 118.948 1.374 . . . . 0.62 110.419 -161.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -93.87 165.63 12.58 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 114.613 1.338 . . . . 0.68 114.613 -172.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.66 159.91 54.34 Favored Pre-proline 0 C--N 1.355 0.845 0 CA-C-O 116.365 -1.778 . . . . 0.62 107.069 174.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -76.0 53.6 3.82 Favored 'Trans proline' 0 C--N 1.358 1.078 0 CA-C-N 123.834 2.405 . . . . 0.53 112.414 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 p90 162.32 179.55 0.01 OUTLIER 'General case' 0 C--N 1.361 1.065 0 CA-C-O 116.19 -1.862 . . . . 0.62 106.868 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -70.69 -92.5 0.01 OUTLIER 'General case' 0 C--N 1.356 0.85 0 CA-C-N 123.292 2.769 . . . . 0.62 110.176 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -168.49 142.34 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 120.541 1.519 . . . . 0.62 109.576 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.3 t -87.9 62.92 7.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.506 1.503 . . . . 0.62 112.977 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -113.06 -71.49 0.75 Allowed 'General case' 0 C--N 1.355 0.824 0 N-CA-C 108.159 -1.052 . . . . 0.62 108.159 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -72.25 -4.76 31.46 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-O 117.99 -1.005 . . . . 0.68 112.239 175.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.19 -174.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.249 -1.389 . . . . 0.62 107.249 -177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.56 162.54 13.42 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 120.367 1.44 . . . . 0.71 111.753 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 t -60.48 149.46 34.27 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 118.657 -0.687 . . . . 0.82 109.226 171.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -57.39 -40.46 78.28 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.263 0.938 . . . . 0.62 110.868 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 64.13 52.59 1.96 Allowed 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.43 -0.582 . . . . 0.76 109.43 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.353 0.753 0 N-CA-C 108.846 -0.798 . . . . 0.62 108.846 175.214 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 37.7 pt . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 118.399 -0.81 . . . . 0.62 109.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' CYS . 16.8 m-20 43.2 50.93 5.73 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.793 0.724 . . . . 0.71 110.633 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ASP . 11.6 t -13.76 80.46 0.0 OUTLIER 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.888 1.367 . . . . 0.82 113.005 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.81 -43.98 0.77 Allowed Glycine 0 C--N 1.352 1.452 0 C-N-CA 120.344 -0.931 . . . . 0.62 111.329 -175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -52.15 -48.25 64.99 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.87 1.335 . . . . 0.62 108.912 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -47.65 -56.47 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 C-N-CA 120.33 -0.548 . . . . 0.62 109.588 172.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -53.62 -51.07 64.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.513 -0.875 . . . . 0.71 110.578 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t -46.23 -43.3 15.34 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 119.788 -0.765 . . . . 0.62 111.987 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.1 mt -77.65 -20.86 53.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.446 -1.264 . . . . 0.62 113.159 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -74.71 -35.71 38.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 121.518 1.963 . . . . 0.62 110.087 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -38.57 -56.79 2.13 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 117.085 -1.436 . . . . 0.76 114.569 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.13 -28.73 87.59 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.89 2.425 . . . . 0.53 112.243 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.9 m -64.8 -50.92 64.86 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.949 1.249 . . . . 0.82 108.265 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.37 -39.4 57.03 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.953 -1.023 . . . . 0.62 110.458 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.9 m -45.54 -47.53 14.31 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 119.741 1.155 . . . . 0.62 110.467 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -78.08 -49.6 13.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 119.019 -0.515 . . . . 0.62 111.355 176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.75 -42.59 95.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 C-N-CA 119.923 -0.711 . . . . 0.62 111.175 -169.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -59.78 -42.68 93.86 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 119.365 -0.934 . . . . 0.68 108.848 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.31 85.85 0.05 OUTLIER Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.608 -1.107 . . . . 0.62 110.498 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.14 42.04 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-O 117.629 -1.651 . . . . 0.62 113.5 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.02 -174.86 2.0 Favored 'Trans proline' 0 C--N 1.355 0.919 0 CA-C-N 120.266 2.033 . . . . 0.53 110.911 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.35 -131.35 10.34 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 115.973 -2.571 . . . . 0.62 109.45 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.5 -178.95 24.53 Favored 'Cis proline' 0 C--N 1.358 1.031 0 CA-C-N 123.565 3.682 . . . . 0.53 111.574 2.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -64.8 155.72 33.01 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.668 -0.813 . . . . 0.62 110.644 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.71 47.13 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 119.947 -1.12 . . . . 0.62 111.71 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -49.17 -38.32 25.28 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.475 1.138 . . . . 0.68 110.613 178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.1 t -57.8 -43.46 85.68 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.257 1.39 . . . . 0.82 111.152 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.8 -40.36 88.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.26 1.391 . . . . 0.82 109.603 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.6 -41.3 73.24 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 108.008 -1.108 . . . . 0.71 108.008 171.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -54.02 -58.19 13.66 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 109.182 -1.567 . . . . 0.62 109.182 172.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLY . 54.0 t -45.13 -45.57 3.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 CA-C-N 120.414 2.107 . . . . 0.62 109.342 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -59.49 -58.35 9.01 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.771 -0.772 . . . . 0.62 110.438 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -69.67 -52.53 24.93 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.567 1.076 . . . . 0.68 110.6 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' GLY . 41.1 mt -36.74 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.855 -1.069 . . . . 0.62 109.382 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 7.8 p-80 -53.43 -31.63 46.13 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 121.818 2.099 . . . . 0.62 111.951 -173.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.05 -47.99 75.38 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.652 -1.28 . . . . 0.68 108.75 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -84.5 60.61 6.15 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.78 -0.822 . . . . 0.68 108.78 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 44' ' ' ARG . . . -148.0 44.1 1.07 Allowed 'General case' 0 C--N 1.357 0.907 0 CA-C-O 118.949 -0.548 . . . . 0.62 111.279 -174.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -140.44 -56.87 0.53 Allowed 'General case' 0 C--N 1.35 0.602 0 CA-C-O 118.53 -0.747 . . . . 0.76 112.896 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -67.53 152.86 44.93 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.475 1.489 . . . . 0.62 112.214 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -47.33 -40.89 18.23 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 118.659 0.663 . . . . 0.68 111.059 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -59.55 -48.37 81.91 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.35 -0.94 . . . . 0.62 108.914 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.05 -47.04 65.29 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 109.175 -0.676 . . . . 0.71 109.175 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 38' ' ' ALA . 3.3 mpt_? -63.03 -51.8 65.35 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 119.573 -0.851 . . . . 0.76 109.919 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -58.8 6.34 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 119.923 1.238 . . . . 0.68 109.444 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 m -47.11 -51.25 18.37 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 118.218 0.463 . . . . 0.62 111.839 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.89 -54.23 24.32 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.143 -1.023 . . . . 0.62 109.387 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.4 m -42.78 -45.56 4.87 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.655 1.116 . . . . 0.82 111.553 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -62.37 -54.22 43.6 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.301 -0.959 . . . . 0.68 111.409 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 3' ' ' CYS . 39.9 m -70.99 -48.83 51.03 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.438 1.017 . . . . 0.82 109.14 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -44.13 -53.41 6.48 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.939 -1.029 . . . . 0.62 110.24 173.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -55.89 -40.9 73.68 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.613 1.551 . . . . 0.62 109.219 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.38 -48.98 40.03 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 118.954 -1.593 . . . . 0.62 111.49 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.02 -60.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 CA-C-N 118.655 1.228 . . . . 0.62 109.309 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.87 22.19 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.286 0.948 . . . . 0.62 111.335 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -63.09 -45.38 92.37 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.165 -1.014 . . . . 0.76 109.004 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.53 -16.67 37.56 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-O 117.571 -1.683 . . . . 0.62 114.72 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 50.3 mt -47.27 127.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-N 120.694 2.247 . . . . 0.62 110.78 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -77.56 -52.92 8.26 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.023 -1.473 . . . . 0.62 107.023 167.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -153.84 148.53 26.38 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 116.979 -1.486 . . . . 0.68 109.236 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -155.6 141.04 17.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.504 1.502 . . . . 0.62 110.804 -178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -109.92 76.85 1.01 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.721 1.146 . . . . 0.68 110.437 -172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ARG . 41.4 tp10 -65.89 -37.28 85.7 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 119.199 -1.0 . . . . 0.71 109.506 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.87 -39.73 19.51 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.877 1.217 . . . . 0.71 111.215 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -60.85 -55.11 36.94 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 119.48 1.037 . . . . 0.68 109.469 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.79 -6.27 36.49 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 116.841 -1.552 . . . . 0.62 114.284 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 63' ' ' GLU . 8.0 tpp85 -37.8 -41.6 0.53 Allowed 'General case' 0 C--N 1.35 0.591 0 CA-C-N 121.62 2.009 . . . . 0.76 112.493 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.9 p -75.26 -29.09 60.07 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.984 -1.008 . . . . 0.62 113.534 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.284 45.0 mt -50.78 -58.32 10.55 Favored Pre-proline 0 C--N 1.352 0.696 0 CA-C-O 115.82 -2.038 . . . . 0.62 113.786 -173.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . 0.32 26.5 Cg_exo -56.77 -53.63 4.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 CA-C-N 125.394 2.962 . . . . 0.53 112.742 -170.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.55 -45.6 32.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 125.105 2.859 . . . . 0.53 112.643 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' CYS . 64.6 tttp -72.38 82.5 1.06 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 118.629 0.65 . . . . 0.62 109.413 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' LYS 0.275 26.1 t 124.81 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.002 -1.475 . . . . 0.82 110.304 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.35 -87.64 0.06 OUTLIER Glycine 0 C--N 1.355 1.606 0 CA-C-N 121.092 1.769 . . . . 0.62 112.794 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.9 157.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 118.996 1.398 . . . . 0.62 110.637 -170.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 53.5 p-10 -67.03 172.72 4.25 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.648 1.113 . . . . 0.68 110.661 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -94.79 153.74 40.0 Favored Pre-proline 0 C--N 1.355 0.813 0 CA-C-O 116.543 -1.694 . . . . 0.62 109.119 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -84.6 44.78 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 CA-C-N 122.925 2.08 . . . . 0.53 111.822 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 158.88 160.66 0.01 OUTLIER 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.613 1.097 . . . . 0.62 111.723 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -72.99 -42.39 63.34 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 118.702 0.683 . . . . 0.62 109.433 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.288 0.1 OUTLIER 52.84 74.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 121.457 0.646 . . . . 0.62 112.548 168.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.6 t 49.26 -113.99 0.65 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-O 117.135 -1.412 . . . . 0.62 114.569 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.6 tp 44.4 47.44 8.09 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 121.127 1.785 . . . . 0.62 108.302 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.7 t30 135.6 -67.75 0.0 OUTLIER 'General case' 0 C--N 1.359 0.99 0 O-C-N 125.072 1.483 . . . . 0.68 108.413 -171.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.261 0.2 OUTLIER -91.16 -159.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-O 118.038 -0.982 . . . . 0.62 112.286 -170.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -74.08 162.69 28.74 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.012 1.733 . . . . 0.71 111.195 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.42 142.54 27.57 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 118.756 -0.64 . . . . 0.82 111.07 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -68.95 78.69 0.32 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.502 0.592 . . . . 0.62 109.417 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -77.66 84.72 4.0 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.839 -0.8 . . . . 0.76 108.839 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.259 0.481 . . . . 0.62 110.37 -178.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . 0.409 ' O20' ' HB2' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.286 1.7 tp . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 118.4 -0.81 . . . . 0.62 109.679 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.95 176.4 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.466 1.485 . . . . 0.71 107.582 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m 56.48 30.33 16.93 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.217 1.371 . . . . 0.82 108.663 -164.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.76 -82.11 0.06 OUTLIER Glycine 0 C--N 1.357 1.72 0 CA-C-O 119.183 -0.787 . . . . 0.62 112.362 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -77.07 -49.27 15.69 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.307 1.553 . . . . 0.62 111.163 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -50.35 79.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 106.118 -1.808 . . . . 0.62 106.118 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -44.22 -51.95 7.83 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.388 0.43 . . . . 0.71 110.68 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.94 -43.92 19.48 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.249 0.931 . . . . 0.62 111.529 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.4 mt -77.59 -21.25 52.69 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.501 -1.237 . . . . 0.62 113.029 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -76.06 -35.44 28.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 121.587 1.994 . . . . 0.62 109.747 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -43.09 -55.17 8.12 Favored Pre-proline 0 C--N 1.353 0.734 0 CA-C-O 116.668 -1.634 . . . . 0.76 113.173 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.56 -27.42 81.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.232 2.547 . . . . 0.53 112.782 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 m -62.62 -37.2 85.37 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.596 1.089 . . . . 0.82 110.634 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -42.73 -32.73 0.63 Allowed 'General case' 0 C--N 1.353 0.72 0 N-CA-C 114.789 1.403 . . . . 0.62 114.789 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -57.55 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.354 0.767 0 CA-C-N 121.273 1.852 . . . . 0.62 113.646 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.89 -42.07 97.27 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.281 1.401 . . . . 0.62 108.725 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -37.97 -56.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 119.048 -0.501 . . . . 0.62 110.92 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -66.41 -52.48 46.1 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.01 -1.076 . . . . 0.68 108.678 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.89 111.12 0.28 Allowed Glycine 0 C--N 1.351 1.385 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.62 -179.77 33.11 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-N 119.879 1.839 . . . . 0.62 111.314 -172.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -81.64 179.77 5.48 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.05 2.425 . . . . 0.53 110.805 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.17 -140.4 15.22 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 116.29 -2.395 . . . . 0.62 111.199 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.38 22.03 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.077 3.438 . . . . 0.53 109.94 4.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.09 160.7 23.33 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.314 -0.954 . . . . 0.62 110.98 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.58 -42.08 50.87 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.73 -1.039 . . . . 0.62 112.836 -176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.13 -44.79 21.9 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.608 1.204 . . . . 0.68 110.953 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.2 -44.99 74.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.206 -0.998 . . . . 0.82 110.185 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.2 t -57.58 -40.13 78.31 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.694 1.134 . . . . 0.82 109.871 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.4 -51.49 62.97 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.9 -1.148 . . . . 0.71 107.9 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.52 -43.23 7.68 Favored Glycine 0 C--N 1.352 1.446 0 CA-C-O 118.168 -1.351 . . . . 0.62 111.601 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -42.66 -40.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.947 1.873 . . . . 0.62 110.192 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.51 -59.99 2.62 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.84 -0.744 . . . . 0.62 109.166 176.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -61.17 -53.67 54.05 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 120.032 -0.667 . . . . 0.68 110.366 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 25.5 mt -33.92 -53.88 0.46 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.653 -0.689 . . . . 0.62 112.06 175.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.34 -43.83 72.87 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.711 1.141 . . . . 0.62 110.042 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -51.97 -42.97 63.33 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 120.023 -0.671 . . . . 0.68 110.077 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -88.97 33.77 0.79 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.165 0.802 . . . . 0.68 113.165 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.02 55.9 1.24 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 107.114 -1.439 . . . . 0.62 107.114 171.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -125.96 -37.76 2.25 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 113.707 1.003 . . . . 0.76 113.707 -168.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.8 t -71.95 161.57 30.73 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.409 1.459 . . . . 0.62 111.783 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.1 66.16 1.2 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.988 -1.07 . . . . 0.68 108.956 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -174.55 -59.19 0.01 OUTLIER 'General case' 0 C--N 1.354 0.775 0 CA-C-O 119.407 -0.33 . . . . 0.62 110.151 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -61.71 -43.8 98.16 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.432 -1.321 . . . . 0.71 107.432 170.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.02 -48.35 64.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.629 0.649 . . . . 0.76 109.986 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -61.57 -53.0 62.11 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.587 -0.445 . . . . 0.68 110.314 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.1 m -63.49 -46.38 86.38 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 109.515 -0.55 . . . . 0.62 109.515 -176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.75 -49.39 77.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.932 -0.707 . . . . 0.62 110.877 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.95 -39.97 79.4 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 118.634 -1.226 . . . . 0.82 109.529 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -66.9 -57.23 7.36 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.028 0.831 . . . . 0.68 111.042 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 83.5 m -50.87 -42.91 59.29 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 119.218 0.917 . . . . 0.82 109.982 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.441 HD22 ' C16' ' A' ' 91' ' ' E2P . 47.9 tp -52.15 -45.75 65.14 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.182 -174.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.76 -45.89 91.95 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.352 -1.339 . . . . 0.62 108.424 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.75 -42.38 78.16 Favored Glycine 0 C--N 1.351 1.369 0 C-N-CA 119.407 -1.377 . . . . 0.62 112.101 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.3 mt -81.09 -65.1 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.823 1.312 . . . . 0.62 109.857 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.61 -55.29 5.8 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.668 0.667 . . . . 0.62 112.3 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.2 88.6 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.712 -1.218 . . . . 0.76 107.712 -175.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -45.31 11.51 Favored Glycine 0 C--N 1.353 1.515 0 C-N-CA 119.986 -1.102 . . . . 0.62 112.573 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.81 125.39 21.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.641 -1.615 . . . . 0.62 106.641 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -82.27 -55.0 4.79 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.315 0.961 . . . . 0.62 109.991 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.86 76.75 3.46 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 120.196 -0.602 . . . . 0.68 109.522 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -130.82 120.18 23.33 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.792 -1.099 . . . . 0.62 109.014 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.5 t-20 -73.25 92.6 1.79 Allowed 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.432 1.469 . . . . 0.68 110.12 177.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.53 -31.04 63.75 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.3 0.955 . . . . 0.71 112.225 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.03 -57.3 6.36 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.357 1.435 . . . . 0.71 111.955 -175.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -39.94 88.35 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.364 1.438 . . . . 0.68 108.171 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.54 -47.96 66.41 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.268 0.94 . . . . 0.62 110.487 175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -62.7 -33.86 75.97 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.488 -0.768 . . . . 0.76 111.78 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.44 -24.47 42.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.553 1.07 . . . . 0.62 113.0 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.5 mt -51.01 -54.62 35.52 Favored Pre-proline 0 C--N 1.353 0.743 0 CA-C-O 116.455 -1.736 . . . . 0.62 113.84 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.08 -56.76 2.82 Favored 'Trans proline' 0 C--N 1.359 1.084 0 CA-C-N 124.517 2.649 . . . . 0.53 116.14 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.11 -25.5 77.34 Favored 'Trans proline' 0 C--N 1.355 0.901 0 CA-C-N 124.444 2.623 . . . . 0.53 112.017 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.31 -36.24 70.84 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 121.182 1.81 . . . . 0.62 109.534 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.5 58.58 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 119.797 1.18 . . . . 0.82 110.209 171.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.99 -25.1 3.15 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-O 115.847 -2.641 . . . . 0.62 118.177 162.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.1 p -158.31 144.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-N 122.845 3.323 . . . . 0.62 113.715 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.36 157.0 16.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.471 0.578 . . . . 0.68 111.333 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.91 155.59 77.66 Favored Pre-proline 0 C--N 1.353 0.732 0 CA-C-O 116.869 -1.539 . . . . 0.62 109.471 174.116 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.23 -38.72 42.74 Favored 'Trans proline' 0 C--N 1.362 1.254 0 CA-C-N 122.223 1.83 . . . . 0.53 114.831 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' O ' HD13 ' A' ' 77' ' ' LEU . 13.9 p90 -111.31 169.21 8.95 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.465 -2.05 . . . . 0.62 105.465 173.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -77.36 -117.16 0.01 OUTLIER 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.001 1.273 . . . . 0.62 108.385 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.7 pt -143.8 -168.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 120.988 1.722 . . . . 0.62 107.919 -169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 m -133.51 34.83 3.45 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 121.481 1.946 . . . . 0.62 111.369 -172.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.49 -66.6 0.89 Allowed 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 119.18 0.9 . . . . 0.62 109.077 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.5 43.61 1.22 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 109.398 -0.593 . . . . 0.68 109.398 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.42 171.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.966 -0.54 . . . . 0.62 110.251 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -54.95 162.51 1.26 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 118.964 -0.541 . . . . 0.71 111.139 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.71 -53.74 25.1 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.893 -1.051 . . . . 0.82 111.988 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.5 128.21 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.844 -1.074 . . . . 0.62 111.027 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.74 -51.01 0.02 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.62 1.554 . . . . 0.76 114.155 -176.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.353 0.72 0 CA-C-N 120.553 1.524 . . . . 0.62 108.664 -173.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . 0.441 ' C16' HD22 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.284 1.7 tp . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.401 -0.809 . . . . 0.62 109.665 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.03 176.39 6.27 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.487 1.494 . . . . 0.71 107.594 174.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.7 m 56.49 30.43 17.11 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 120.186 1.357 . . . . 0.82 108.584 -164.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.8 -82.33 0.06 OUTLIER Glycine 0 C--N 1.357 1.736 0 CA-C-O 119.292 -0.726 . . . . 0.62 112.333 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -76.9 -49.23 16.12 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 119.32 1.56 . . . . 0.62 111.14 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.85 -50.32 79.85 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 106.162 -1.792 . . . . 0.62 106.162 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -44.27 -51.88 7.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.381 0.426 . . . . 0.71 110.661 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -46.91 -43.96 19.34 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 119.205 0.911 . . . . 0.62 111.539 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.6 -21.32 52.54 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.533 -1.222 . . . . 0.62 113.064 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 m -75.97 -35.39 29.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 121.604 2.002 . . . . 0.62 109.729 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -43.09 -55.2 8.07 Favored Pre-proline 0 C--N 1.354 0.779 0 CA-C-O 116.652 -1.642 . . . . 0.76 113.193 -175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -61.57 -27.38 81.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 CA-C-N 124.259 2.557 . . . . 0.53 112.755 177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.0 m -62.66 -37.25 85.67 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.62 1.1 . . . . 0.82 110.634 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.0 mt -42.64 -32.7 0.61 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 114.803 1.408 . . . . 0.62 114.803 -174.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 m -57.57 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.267 1.849 . . . . 0.62 113.692 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -60.83 -42.11 97.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.328 1.422 . . . . 0.62 108.717 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 t -37.88 -56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 119.008 -0.52 . . . . 0.62 111.002 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -66.49 -52.44 45.97 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.96 -1.096 . . . . 0.68 108.609 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.07 111.27 0.28 Allowed Glycine 0 C--N 1.351 1.41 0 N-CA-C 108.508 -1.837 . . . . 0.62 108.508 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.42 -179.78 32.92 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 119.909 1.854 . . . . 0.62 111.407 -172.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -81.62 179.79 5.47 Favored 'Trans proline' 0 C--N 1.356 0.948 0 CA-C-N 121.022 2.411 . . . . 0.53 110.807 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.16 -140.47 15.26 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 116.305 -2.386 . . . . 0.62 111.192 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -73.53 -178.4 22.11 Favored 'Cis proline' 0 C--N 1.359 1.126 0 CA-C-N 123.074 3.437 . . . . 0.53 109.957 4.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.3 p -66.08 160.65 23.44 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.307 -0.957 . . . . 0.62 110.966 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.38 -42.25 49.89 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 118.752 -1.027 . . . . 0.62 112.886 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -47.07 -44.79 21.29 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.555 1.178 . . . . 0.68 110.968 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.7 t -68.27 -44.98 74.35 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.191 -1.004 . . . . 0.82 110.15 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 t -57.55 -40.08 78.06 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.73 1.15 . . . . 0.82 109.889 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -64.43 -51.59 62.41 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 107.909 -1.145 . . . . 0.71 107.909 170.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -44.44 -43.04 7.49 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-O 118.18 -1.344 . . . . 0.62 111.715 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.8 t -42.84 -40.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.63 0 CA-C-N 119.996 1.898 . . . . 0.62 110.293 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -59.92 2.67 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.779 -0.769 . . . . 0.62 109.031 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -61.27 -53.92 50.65 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 120.076 -0.649 . . . . 0.68 110.425 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' GLY . 30.4 mt -33.47 -53.27 0.41 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.758 -0.639 . . . . 0.62 112.051 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -69.95 -44.36 69.69 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.528 1.058 . . . . 0.62 109.991 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 120.087 -0.645 . . . . 0.68 110.056 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -88.16 33.89 0.74 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.172 0.804 . . . . 0.68 113.172 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.58 55.49 1.26 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.33 -1.359 . . . . 0.62 107.33 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -125.63 -37.17 2.35 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 114.011 1.115 . . . . 0.76 114.011 -169.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 t -72.21 161.82 30.34 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.436 1.471 . . . . 0.62 111.612 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -74.37 66.14 1.3 Allowed 'General case' 0 C--N 1.352 0.706 0 O-C-N 121.055 -1.028 . . . . 0.68 108.884 173.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 t -174.21 -59.35 0.01 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -61.42 -44.07 97.77 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.527 -1.286 . . . . 0.71 107.527 170.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp85 -51.63 -48.62 63.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 118.668 0.667 . . . . 0.76 109.974 172.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -61.48 -52.98 62.25 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 120.532 -0.467 . . . . 0.68 110.324 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.6 m -63.32 -46.24 87.55 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.548 -0.538 . . . . 0.62 109.548 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.12 79.04 Favored 'General case' 0 CA--C 1.504 -0.81 0 C-N-CA 119.754 -0.778 . . . . 0.62 110.858 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -57.63 -40.1 78.44 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 118.672 -1.211 . . . . 0.82 109.479 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -66.81 -57.27 7.37 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 118.924 0.784 . . . . 0.68 111.108 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.8 m -51.0 -42.74 60.55 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.231 0.923 . . . . 0.82 110.054 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' C16' ' A' ' 91' ' ' E2P . 47.8 tp -52.19 -45.58 65.24 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.516 -0.754 . . . . 0.62 112.077 -174.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.95 -45.98 91.29 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 118.376 -1.33 . . . . 0.62 108.475 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.76 -42.27 77.86 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 119.405 -1.379 . . . . 0.62 112.106 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.7 mt -81.1 -65.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 118.854 1.327 . . . . 0.62 109.82 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.7 -55.11 5.96 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.682 0.674 . . . . 0.62 112.293 -170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -46.21 88.91 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.76 107.735 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.41 -45.27 11.37 Favored Glycine 0 C--N 1.353 1.485 0 C-N-CA 120.012 -1.09 . . . . 0.62 112.561 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -64.86 125.25 21.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 106.66 -1.607 . . . . 0.62 106.66 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.15 -55.08 4.77 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.368 0.986 . . . . 0.62 110.039 -174.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -76.77 76.87 3.4 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 120.195 -0.602 . . . . 0.68 109.507 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 62' ' ' ASN . 4.1 tt -131.02 119.83 22.59 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.879 -1.058 . . . . 0.62 109.01 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' N ' HD23 ' A' ' 61' ' ' LEU . 62.1 t-20 -72.88 92.69 1.63 Allowed 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.42 1.464 . . . . 0.68 110.153 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -56.56 -30.99 63.76 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.356 0.98 . . . . 0.71 112.219 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -68.13 -57.23 6.41 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.299 1.408 . . . . 0.71 111.981 -175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -39.96 88.25 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 120.377 1.444 . . . . 0.68 108.118 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.92 66.63 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.299 0.954 . . . . 0.62 110.507 175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -62.62 -34.01 76.18 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.492 -0.766 . . . . 0.76 111.788 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.7 m -79.25 -24.49 42.95 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.597 1.089 . . . . 0.62 112.977 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 62.6 mt -51.06 -54.78 33.96 Favored Pre-proline 0 C--N 1.353 0.748 0 CA-C-O 116.447 -1.74 . . . . 0.62 113.801 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.92 -56.81 2.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 CA-C-N 124.532 2.654 . . . . 0.53 116.229 -170.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.15 -25.44 77.14 Favored 'Trans proline' 0 C--N 1.355 0.915 0 CA-C-N 124.466 2.631 . . . . 0.53 112.051 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.25 -36.35 70.85 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 121.151 1.796 . . . . 0.62 109.55 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.1 m -95.4 58.51 2.07 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.724 1.147 . . . . 0.82 110.21 171.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.93 -25.15 3.11 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-O 115.864 -2.631 . . . . 0.62 118.218 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.38 144.5 8.06 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.853 3.327 . . . . 0.62 113.767 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -94.73 156.55 16.34 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-N 118.399 0.545 . . . . 0.68 111.431 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -78.33 155.05 79.46 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 116.905 -1.521 . . . . 0.62 109.428 174.073 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.55 -37.75 45.84 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.289 1.853 . . . . 0.53 114.63 -176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HD13 ' A' ' 77' ' ' LEU . 24.2 p90 -111.14 168.54 9.43 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 105.784 -1.932 . . . . 0.62 105.784 173.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.3 p -77.44 -117.21 0.01 OUTLIER 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.525 1.511 . . . . 0.62 108.237 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.3 pt -143.56 -168.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 121.105 1.775 . . . . 0.62 107.898 -169.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.1 m -133.26 34.95 3.5 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 121.354 1.888 . . . . 0.62 111.337 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.62 -66.64 0.88 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 119.21 0.914 . . . . 0.62 109.108 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -108.52 43.64 1.22 Allowed 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.403 -0.592 . . . . 0.68 109.403 -174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -170.46 171.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.989 -0.529 . . . . 0.62 110.2 -175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -54.86 162.53 1.23 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 118.981 -0.533 . . . . 0.71 111.176 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.72 -53.75 24.97 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.866 -1.064 . . . . 0.82 111.951 -175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 m 67.48 128.26 0.02 OUTLIER 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.877 -1.058 . . . . 0.62 111.021 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 -51.33 0.02 OUTLIER 'General case' 0 C--N 1.356 0.879 0 CA-C-N 120.6 1.546 . . . . 0.76 114.164 -176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.353 0.753 0 CA-C-N 120.439 1.472 . . . . 0.62 108.625 -173.689 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . 0.43 ' C16' HD22 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 118.243 -0.884 . . . . 0.62 110.483 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 15.8 m-20 44.07 66.23 0.88 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-N 118.789 0.722 . . . . 0.71 110.25 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.4 t -48.9 85.69 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 O-C-N 123.638 0.586 . . . . 0.82 109.716 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . 161.58 -53.61 0.32 Allowed Glycine 0 C--N 1.352 1.419 0 N-CA-C 108.274 -1.93 . . . . 0.62 108.274 -170.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.07 -52.79 63.44 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 168.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.6 t -45.2 -58.6 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 108.662 -0.866 . . . . 0.62 108.662 173.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -51.44 -51.46 54.66 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 120.147 -0.621 . . . . 0.71 111.162 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -47.11 -44.81 21.77 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 119.151 0.887 . . . . 0.62 111.211 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.39 -25.65 60.65 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.565 -1.207 . . . . 0.62 112.374 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.2 m -75.79 -30.65 21.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 121.376 1.898 . . . . 0.62 110.735 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -42.0 -53.66 8.06 Favored Pre-proline 0 C--N 1.352 0.703 0 CA-C-O 116.754 -1.593 . . . . 0.76 113.625 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -62.08 -30.69 82.99 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 124.368 2.596 . . . . 0.53 112.417 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' VAL . 37.3 m -67.2 -38.1 84.75 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.106 1.321 . . . . 0.82 110.554 175.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -37.38 -49.97 1.03 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 123.734 0.646 . . . . 0.62 109.599 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.9 p -40.26 -71.94 0.07 Allowed 'General case' 0 C--N 1.352 0.717 0 N-CA-C 114.345 1.239 . . . . 0.62 114.345 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -75.37 -33.85 61.08 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.815 1.189 . . . . 0.62 109.444 -176.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -44.07 -45.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 119.976 1.262 . . . . 0.62 108.607 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.6 -52.97 8.68 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.249 -0.581 . . . . 0.68 109.526 175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.93 127.29 0.9 Allowed Glycine 0 C--N 1.352 1.449 0 CA-C-O 117.53 -1.705 . . . . 0.62 109.64 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 16' ' ' TYR . . . 159.31 -177.79 35.71 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-N 120.765 2.283 . . . . 0.62 112.417 -174.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -90.41 -176.69 1.11 Allowed 'Trans proline' 0 C--N 1.357 0.992 0 CA-C-N 121.415 2.607 . . . . 0.53 111.28 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.97 -117.85 4.5 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 116.049 -2.528 . . . . 0.62 112.098 172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.08 179.03 30.99 Favored 'Cis proline' 0 C--N 1.361 1.2 0 CA-C-N 123.66 3.73 . . . . 0.53 110.633 0.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.3 t -52.33 155.13 2.14 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 113.387 0.884 . . . . 0.62 113.387 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.66 -36.67 55.09 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 119.765 -1.207 . . . . 0.62 110.451 172.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -52.96 -47.34 68.21 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.537 1.168 . . . . 0.68 109.298 177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.41 -42.02 99.12 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.137 -1.411 . . . . 0.82 109.886 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 65.4 m -59.41 -43.55 92.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 120.603 1.547 . . . . 0.82 109.921 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -59.37 -45.43 91.46 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 119.173 -1.011 . . . . 0.71 108.355 172.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.57 -38.02 62.3 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 117.71 -1.606 . . . . 0.62 112.111 175.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.91 -60.46 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 121.094 2.447 . . . . 0.62 109.253 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -56.32 -41.7 76.43 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.066 -1.054 . . . . 0.62 109.648 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -65.13 -52.71 53.62 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.91 -0.716 . . . . 0.68 109.716 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.08 -52.99 59.21 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 119.08 -0.486 . . . . 0.62 110.481 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -24.26 67.73 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.433 -0.907 . . . . 0.62 111.464 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -88.29 -56.68 3.22 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.097 0.862 . . . . 0.68 110.451 -176.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -58.98 -37.73 77.5 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.349 -0.834 . . . . 0.68 110.644 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.05 87.99 5.99 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.292 0.951 . . . . 0.62 109.763 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -150.54 59.98 0.95 Allowed 'General case' 0 C--N 1.355 0.84 0 CA-C-N 119.677 1.126 . . . . 0.76 112.622 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.9 t -169.04 169.64 9.39 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.267 -0.873 . . . . 0.62 110.091 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -63.09 -48.16 79.77 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.849 1.204 . . . . 0.68 109.949 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m -52.01 -39.73 59.93 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.635 -0.826 . . . . 0.62 110.043 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -46.12 70.42 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.193 -0.908 . . . . 0.71 109.571 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -48.68 -50.94 31.01 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.083 -1.451 . . . . 0.76 107.083 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' N ' ' OE1' ' A' ' 45' ' ' GLN . 5.0 mp0 -55.99 -65.12 0.65 Allowed 'General case' 0 C--N 1.35 0.618 0 CA-C-N 119.236 0.926 . . . . 0.68 110.014 177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 m -60.67 -59.54 5.22 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.658 1.117 . . . . 0.62 111.919 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.25 69.41 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 120.313 -0.555 . . . . 0.62 109.623 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.38 -25.13 64.91 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 118.752 -1.179 . . . . 0.82 111.818 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -66.93 -50.76 61.35 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 121.188 1.813 . . . . 0.68 108.231 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -47.63 -54.8 10.85 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.411 -0.916 . . . . 0.82 108.549 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.5 tt -49.46 -52.36 29.6 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 118.444 -0.788 . . . . 0.62 112.304 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -50.17 -47.6 54.4 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.364 -0.976 . . . . 0.62 108.364 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.28 -46.29 91.17 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 118.409 -1.217 . . . . 0.62 112.757 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.37 -74.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-N 119.229 1.514 . . . . 0.62 109.365 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.5 -54.44 23.9 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 119.697 1.135 . . . . 0.62 112.454 -169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -37.45 85.72 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 118.493 -1.283 . . . . 0.76 108.172 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.01 82.98 Favored Glycine 0 C--N 1.354 1.561 0 C-N-CA 119.648 -1.263 . . . . 0.62 110.792 172.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.78 150.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-N 118.576 1.188 . . . . 0.62 108.571 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -130.57 178.61 6.49 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.63 -1.176 . . . . 0.62 108.756 178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 56.57 56.95 5.17 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 106.529 -1.656 . . . . 0.68 106.529 -170.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.72 126.83 45.25 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.845 -1.074 . . . . 0.62 108.47 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -78.34 73.39 4.9 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.037 1.289 . . . . 0.68 110.368 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -37.74 50.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 118.564 -0.731 . . . . 0.71 112.386 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.85 -57.04 11.07 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.401 1.0 . . . . 0.71 109.853 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -57.02 -39.38 74.64 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.545 -0.862 . . . . 0.68 109.74 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.53 -28.44 60.01 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.455 -1.259 . . . . 0.62 111.541 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -42.81 88.26 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.388 1.449 . . . . 0.76 109.394 171.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 m -67.22 -31.64 72.14 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.186 -0.912 . . . . 0.62 113.041 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt -45.69 -61.36 2.5 Favored Pre-proline 0 C--N 1.352 0.71 0 CA-C-O 117.374 -1.298 . . . . 0.62 112.525 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -49.4 -58.51 1.7 Allowed 'Trans proline' 0 N--CA 1.449 -1.107 0 CA-C-N 122.474 1.919 . . . . 0.53 115.684 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.35 -29.32 21.23 Favored 'Trans proline' 0 C--N 1.357 0.986 0 CA-C-N 124.157 2.52 . . . . 0.53 110.683 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -60.11 -37.09 78.95 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.524 1.511 . . . . 0.62 110.263 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 t -131.44 44.98 2.86 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.632 1.106 . . . . 0.82 112.246 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.02 -79.47 0.13 Allowed Glycine 0 C--N 1.353 1.485 0 C-N-CA 119.564 -1.303 . . . . 0.62 114.053 173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.94 150.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-O 117.675 -1.155 . . . . 0.62 109.673 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -62.31 160.99 12.16 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.604 1.335 . . . . 0.68 114.604 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 153.28 83.63 Favored Pre-proline 0 C--N 1.357 0.902 0 CA-C-O 116.377 -1.773 . . . . 0.62 110.343 170.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.67 -31.23 33.25 Favored 'Trans proline' 0 C--N 1.363 1.315 0 CA-C-N 124.049 2.482 . . . . 0.53 113.803 174.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -149.01 165.55 31.32 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 121.123 1.783 . . . . 0.62 109.085 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -69.65 -1.64 9.51 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 117.849 2.536 . . . . 0.62 117.849 -166.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . 0.298 15.6 pt 56.61 163.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 121.275 1.852 . . . . 0.62 115.904 174.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -91.38 45.24 1.22 Allowed 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.596 -1.315 . . . . 0.62 114.166 -172.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -90.01 67.36 7.04 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 104.284 -2.487 . . . . 0.62 104.284 166.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 71.33 25.96 3.42 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.869 -1.539 . . . . 0.68 113.449 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . 0.273 2.2 mp -130.11 -79.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-N 120.617 1.553 . . . . 0.62 110.357 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -159.57 172.31 18.05 Favored 'General case' 0 C--N 1.36 1.061 0 CA-C-N 122.729 2.513 . . . . 0.71 116.712 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 m -165.73 77.43 0.26 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 107.947 -1.131 . . . . 0.82 107.947 168.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -45.75 -45.59 14.61 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 114.094 1.146 . . . . 0.62 114.094 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 53.63 59.1 4.55 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.201 0.909 . . . . 0.76 109.997 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.353 0.744 0 CA-C-O 121.501 0.667 . . . . 0.62 109.702 179.04 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 118.655 -0.688 . . . . 0.62 110.674 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.8 p-10 -139.54 32.23 2.07 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.188 -0.91 . . . . 0.71 112.443 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.8 t 71.21 -58.08 0.58 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.507 1.503 . . . . 0.82 110.778 -178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.57 -42.67 99.27 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 120.466 1.485 . . . . 0.62 112.086 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -57.31 -47.88 80.39 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 118.302 1.051 . . . . 0.62 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -52.01 -55.51 9.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 119.925 -0.71 . . . . 0.62 109.133 170.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -55.35 -25.59 35.98 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.972 -0.691 . . . . 0.71 111.98 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -69.75 -44.51 70.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 119.806 1.185 . . . . 0.62 110.386 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.14 -26.48 62.12 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.182 0.901 . . . . 0.62 113.272 -175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -71.79 -28.18 29.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 CA-C-N 119.994 1.27 . . . . 0.62 111.2 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -38.74 -54.12 3.15 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.559 -1.686 . . . . 0.76 114.554 -172.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.56 -44.58 43.08 Favored 'Trans proline' 0 C--N 1.359 1.085 0 CA-C-N 124.029 2.475 . . . . 0.53 111.841 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.4 m -62.51 -44.3 96.7 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 120.171 1.35 . . . . 0.82 110.603 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -33.15 -49.48 0.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 113.438 0.903 . . . . 0.62 113.438 -177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.5 m -64.55 -58.74 5.54 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.908 -1.12 . . . . 0.62 112.313 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -56.68 -47.45 79.83 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 107.394 -1.335 . . . . 0.62 107.394 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 t -45.98 -45.4 5.4 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 118.38 -0.819 . . . . 0.62 112.516 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -52.91 -50.64 63.52 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 118.954 -1.098 . . . . 0.68 109.846 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.92 51.21 0.08 OUTLIER Glycine 0 C--N 1.352 1.464 0 C-N-CA 118.782 -1.675 . . . . 0.62 117.095 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' ' 21' ' ' PRO . . . 112.23 -32.51 6.25 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 115.253 -2.971 . . . . 0.62 119.121 168.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 20' ' ' GLY . 96.8 Cg_endo -71.8 -175.8 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 1 CA-C-N 125.161 4.481 . . . . 0.53 110.724 -172.253 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.14 175.5 4.14 Favored Glycine 0 C--N 1.35 1.312 0 CA-C-O 118.174 -1.348 . . . . 0.62 112.173 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . 0.281 4.4 Cg_endo -100.55 -174.06 2.5 Favored 'Cis proline' 0 C--N 1.359 1.08 0 CA-C-N 121.085 2.443 . . . . 0.53 111.47 -0.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -143.08 172.16 13.09 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 106.473 -1.677 . . . . 0.62 106.473 167.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.48 -69.4 1.42 Allowed Glycine 0 C--N 1.35 1.339 0 CA-C-N 121.51 1.959 . . . . 0.62 109.74 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -55.01 -50.83 68.04 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 119.651 1.725 . . . . 0.68 108.508 175.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.7 t -57.28 -43.54 83.22 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.652 -1.166 . . . . 0.82 109.154 175.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.23 -41.18 79.04 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.971 1.259 . . . . 0.82 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.6 -48.01 80.58 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.632 -1.247 . . . . 0.71 107.632 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -52.83 -41.43 58.38 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-O 118.435 -1.203 . . . . 0.62 111.506 174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.3 t -60.11 -58.77 5.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 120.24 2.02 . . . . 0.62 110.612 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.41 -37.58 67.82 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 118.582 -1.247 . . . . 0.62 109.714 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -65.17 -47.42 77.05 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 118.99 0.814 . . . . 0.68 109.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.54 -50.42 71.92 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.745 -0.835 . . . . 0.62 108.745 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -55.14 -45.37 75.63 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 120.051 -0.66 . . . . 0.62 110.943 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -55.73 -48.21 75.6 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 120.145 -0.622 . . . . 0.68 110.099 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -88.72 48.31 1.62 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 118.126 0.421 . . . . 0.68 112.02 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.54 58.24 1.13 Allowed 'General case' 0 C--N 1.354 0.791 0 N-CA-C 109.905 -0.406 . . . . 0.62 109.905 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -131.73 40.41 3.38 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.017 0.371 . . . . 0.76 111.382 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 t -161.3 155.45 22.58 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.645 -1.169 . . . . 0.62 108.59 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -55.07 -55.48 30.58 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.936 1.698 . . . . 0.68 110.008 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -48.27 -44.72 33.83 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 120.107 -0.637 . . . . 0.62 111.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.62 -52.79 63.52 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.137 -1.025 . . . . 0.71 109.578 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -34.6 78.83 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 117.748 -1.12 . . . . 0.76 109.352 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.37 -62.05 2.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.635 1.561 . . . . 0.68 108.085 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m -61.26 -46.71 89.23 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 118.993 0.815 . . . . 0.62 111.294 -175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.93 62.72 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 120.323 -0.551 . . . . 0.62 109.764 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.1 p -66.53 -31.7 72.58 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.82 110.942 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -61.11 -39.44 89.98 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 118.963 -1.095 . . . . 0.68 108.819 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.0 -44.66 96.25 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.648 1.113 . . . . 0.82 108.846 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.32 -61.41 2.29 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 119.889 1.222 . . . . 0.62 112.159 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -65.9 -42.0 90.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.17 1.35 . . . . 0.62 109.284 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.59 -46.18 66.44 Favored Glycine 0 C--N 1.35 1.343 0 CA-C-O 118.372 -1.238 . . . . 0.62 112.652 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mp -101.86 -61.96 2.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 118.599 1.2 . . . . 0.62 109.561 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.06 4.38 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 120.335 1.425 . . . . 0.62 110.637 -169.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.33 -42.44 98.68 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.019 -1.104 . . . . 0.76 108.019 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.49 -41.83 9.44 Favored Glycine 0 C--N 1.355 1.625 0 C-N-CA 120.215 -0.993 . . . . 0.62 111.939 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.7 mt -71.71 83.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 104.498 -2.408 . . . . 0.62 104.498 172.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -76.49 63.49 2.04 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.381 0.991 . . . . 0.62 109.067 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -173.72 64.8 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.681 -1.97 . . . . 0.68 105.681 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -151.95 137.24 17.53 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.887 -1.054 . . . . 0.62 110.249 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -80.66 83.22 6.48 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 119.772 1.169 . . . . 0.68 109.498 -177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' OE1' ' NE ' ' A' ' 67' ' ' ARG . 1.8 pp20? -53.17 -29.98 34.69 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 119.724 -0.79 . . . . 0.71 112.127 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -54.29 -44.99 72.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.671 1.578 . . . . 0.71 108.707 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -56.96 -46.54 82.07 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.332 0.969 . . . . 0.68 109.812 175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.85 63.66 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.27 0.941 . . . . 0.62 111.38 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' NE ' ' OE1' ' A' ' 63' ' ' GLU . 88.4 mtm180 -78.22 -30.31 48.77 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.606 -1.188 . . . . 0.76 112.846 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 t -84.88 -42.39 15.1 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.432 1.469 . . . . 0.62 112.332 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 64.6 mt -45.79 -56.25 10.62 Favored Pre-proline 0 C--N 1.351 0.664 0 CA-C-O 116.776 -1.583 . . . . 0.62 111.268 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.92 -62.71 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 CA-C-N 123.542 2.301 . . . . 0.53 115.764 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -69.26 -22.97 33.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 CA-C-N 124.592 2.676 . . . . 0.53 111.846 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.54 -47.16 86.6 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 120.715 1.598 . . . . 0.62 107.971 176.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 45.3 t -69.36 -36.82 77.23 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.609 -0.836 . . . . 0.82 110.652 172.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.64 43.28 1.15 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-O 118.676 -1.069 . . . . 0.62 113.004 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -168.59 147.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-O 116.735 -1.602 . . . . 0.62 108.08 178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -149.18 179.06 8.2 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.432 1.924 . . . . 0.68 112.014 -173.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.84 165.73 39.92 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.298 -1.811 . . . . 0.62 109.618 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -58.67 -20.67 51.9 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 123.591 2.318 . . . . 0.53 113.137 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -123.84 47.32 2.07 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 118.821 0.737 . . . . 0.62 109.204 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.9 p 51.41 -93.36 0.03 OUTLIER 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.165 -1.398 . . . . 0.62 111.501 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -166.72 135.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 120.919 1.69 . . . . 0.62 111.102 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 83' ' ' LEU . 37.9 t -78.61 -16.13 57.73 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 115.111 -2.376 . . . . 0.62 115.723 -172.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 82' ' ' SER . 4.5 mm? -39.43 -53.85 1.98 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 123.657 2.935 . . . . 0.62 110.933 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.2 0.3 48.07 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.005 -1.474 . . . . 0.68 112.96 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.88 -111.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.025 0 CA-C-N 121.177 1.808 . . . . 0.62 109.051 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -159.41 170.05 22.62 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-N 123.159 2.709 . . . . 0.71 111.557 -174.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.1 m -46.17 -44.4 15.95 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.862 -1.066 . . . . 0.82 111.809 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.6 m 50.82 75.81 0.17 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.804 0.729 . . . . 0.62 110.49 176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -89.78 -61.69 1.64 Allowed 'General case' 0 C--N 1.356 0.85 0 N-CA-C 109.103 -0.702 . . . . 0.76 109.103 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.354 0.796 0 N-CA-C 108.565 -0.902 . . . . 0.62 108.565 -175.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' E2P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_